Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-22 05:50:27 UTC |
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Update Date | 2016-11-09 01:15:56 UTC |
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Accession Number | CHEM019121 |
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Identification |
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Common Name | Sodium 2,3-dimercaptopropanesulfonate hydrate |
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Class | Small Molecule |
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Description | Not Available |
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Contaminant Sources | - ToxCast & Tox21 Chemicals
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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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Sodium 2,3-disulfanylpropane-1-sulfonic acid hydric acid | Generator | Sodium 2,3-disulphanylpropane-1-sulphonate hydrate | Generator | Sodium 2,3-disulphanylpropane-1-sulphonic acid hydric acid | Generator | 2,3 Dimercaptopropane 1 sulfonate sodium | MeSH | 2,3-Dimercaptopropane 1-sodium sulfonate | MeSH | 2,3-Dimercaptopropane sulfonate, sodium | MeSH | 2,3-Dimercaptopropanesulfonic acid | MeSH | DMPS-Heyl | MeSH | Dimaval | MeSH | Unithiol | MeSH | 2,3 Dimercaptopropanesulfonic acid | MeSH | DMPS | MeSH | Sodium 2,3-dithiopropanesulfate | MeSH | 2,3 Dimercaptopropane 1 sodium sulfonate | MeSH | 2,3-Dimercaptopropane-1-sulfonate sodium | MeSH | Unitiol | MeSH | DMPS Heyl | MeSH | Heyl brand OF unithiol | MeSH | 2,3 dimercapto 1 Propanesulfonic acid | MeSH | Sodium 2,3-dimercaptopropane sulfonate | MeSH | 1-Sodium sulfonate, 2,3-dimercaptopropane | MeSH | 2,3-dimercapto-1-Propanesulfonic acid | MeSH | Mercuval | MeSH | Biosyn brand OF unithiol | MeSH | 2,3-Dithiopropanesulfate, sodium | MeSH |
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Chemical Formula | C3H9NaO4S3 |
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Average Molecular Mass | 228.270 g/mol |
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Monoisotopic Mass | 227.956 g/mol |
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CAS Registry Number | 207233-91-8 |
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IUPAC Name | sodium 2,3-disulfanylpropane-1-sulfonate hydrate |
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Traditional Name | sodium 2,3-disulfanylpropane-1-sulfonate hydrate |
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SMILES | O.[Na+].[O-]S(=O)(=O)CC(S)CS |
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InChI Identifier | InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1 |
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InChI Key | XMUHNMQFDVIWGU-UHFFFAOYSA-M |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Organic sulfonic acids and derivatives |
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Sub Class | Organosulfonic acids and derivatives |
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Direct Parent | Organosulfonic acids |
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Alternative Parents | |
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Substituents | - Alkanesulfonic acid
- Sulfonyl
- Organosulfonic acid
- Organic alkali metal salt
- Alkylthiol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic sodium salt
- Organic salt
- Organosulfur compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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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 | Not Available |
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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 | Not Available |
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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 | Not Available |
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PubChem Compound ID | 16211435 |
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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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