| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:36:07 UTC |
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| Update Date | 2016-11-09 01:09:17 UTC |
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| Accession Number | CHEM004156 |
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| Identification |
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| Common Name | Ethylenebisdithiocarbamic acid, salts & esters |
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| Class | Small Molecule |
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| Description | A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Ethylenebisdithiocarbamic acid | ChEBI | | N,N'-(ethylene)bisdithiocarbamic acid | ChEBI | | N,N'-ethanediylbis(dithiocarbamic acid) | ChEBI | | Ethylenebisdithiocarbamate | Generator | | N,N'-(ethylene)bisdithiocarbamate | Generator | | N,N'-ethanediylbis(dithiocarbamate) | Generator | | 1,2-Ethanediyldicarbamodithioate | Generator | | Ethylenebis(dithiocarbamate) | HMDB | | Nabam, disodium salt | HMDB | | Nabam, iron salt | HMDB | | Nabam, sodium salt | HMDB | | Amobam | HMDB | | Nabam, ammonium salt | HMDB | | Nabam, calcium salt (1:1) | HMDB | | Nabam, diammonium salt | HMDB | | Nabam, dipotassium salt | HMDB | | Nabam, potassium salt | HMDB | | Nabam | HMDB | | Ethylenebis(dithiocarbamic acid) disodium salt | HMDB |
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| Chemical Formula | C4H8N2S4 |
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| Average Molecular Mass | 212.380 g/mol |
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| Monoisotopic Mass | 211.957 g/mol |
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| CAS Registry Number | 111-54-6 |
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| IUPAC Name | N-{2-[(disulfanylmethylidene)amino]ethyl}-1-sulfanylmethanimidothioic acid |
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| Traditional Name | N-{2-[(disulfanylmethylidene)amino]ethyl}-1-sulfanylmethanimidothioic acid |
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| SMILES | SC(S)=NCCN=C(S)S |
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| InChI Identifier | InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10) |
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| InChI Key | AWYFNIZYMPNGAI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as ethylene bisdithiocarbamates. These are dithiocarbamic acids (or derivatives) resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. In addition, compounds containing a 1,2-ethanediyl carbamodithioate moiety are also members of this class. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Dithiocarbamic acids and derivatives |
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| Sub Class | Dithiocarbamic acid esters |
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| Direct Parent | Ethylene bisdithiocarbamates |
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| Alternative Parents | |
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| Substituents | - Ethylene bisdithiocarbamate
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organosulfur compound
- Organonitrogen compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0ar0-3900000000-ba67d9709e9601c68dcd | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-2790000000-8697496e8fa1f9087a8c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4r-8900000000-94397f119a8c55859aa0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a6u-9200000000-57901659eef44bba2105 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01t9-7940000000-f0aca77df29c953f80b9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a70-9600000000-071a140040b117587c81 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-056r-9100000000-ebd1672a335dc26326be | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0059917 |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 83986 |
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| PubChem Compound ID | 3000605 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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