| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:40:19 UTC |
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| Update Date | 2016-11-09 01:13:44 UTC |
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| Accession Number | CHEM008185 |
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| Identification |
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| Common Name | Silthiopham |
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| Class | Small Molecule |
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| Description | A monocarboxylic acid amide obtained by formal condensation of the carboxy group from 4,5-dimethyl-2-(trimethylsilyl)thiophene-3-carboxlic acid with the amino group of allylamine. A fungicide seed dressing for cereals used mainly to control 'take-all'. |
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| Contaminant Sources | - My Exposome Chemicals
- STOFF IDENT Compounds
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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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| 4,5-Dimethyl-N-2-propen-1-yl-2-(trimethylsilyl)-3-thiophenecarboxamide | ChEBI | | 4,5-Dimethyl-N-2-propenyl-2-(trimethylsilyl)-3-thiophenecarboxamide | ChEBI | | N-Allyl-4,5-dimethyl-2-(trimethylsilyl)thiophene-3-carboxamide | ChEBI | | Silthiopham | ChEBI | | Silthiofam | MeSH |
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| Chemical Formula | C13H21NOSSi |
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| Average Molecular Mass | 267.460 g/mol |
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| Monoisotopic Mass | 267.111 g/mol |
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| CAS Registry Number | 175217-20-6 |
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| IUPAC Name | 4,5-dimethyl-N-(prop-2-en-1-yl)-2-(trimethylsilyl)thiophene-3-carboxamide |
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| Traditional Name | 4,5-dimethyl-N-(prop-2-en-1-yl)-2-(trimethylsilyl)thiophene-3-carboxamide |
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| SMILES | CC1=C(C)C(C(=O)NCC=C)=C(S1)[Si](C)(C)C |
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| InChI Identifier | InChI=1S/C13H21NOSSi/c1-7-8-14-12(15)11-9(2)10(3)16-13(11)17(4,5)6/h7H,1,8H2,2-6H3,(H,14,15) |
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| InChI Key | MXMXHPPIGKYTAR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as thiophene carboxamides. Thiophene carboxamides are compounds containing a thiophene ring which bears a carboxamide. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Thiophenes |
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| Sub Class | Thiophene carboxylic acids and derivatives |
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| Direct Parent | Thiophene carboxamides |
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| Alternative Parents | |
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| Substituents | - Thiophene carboxamide
- Alkylarylsilane
- Heteroaromatic compound
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Organic metalloid salt
- Organic nitrogen compound
- Organic salt
- Organosilicon compound
- Hydrocarbon derivative
- Alkylsilane
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-02t9-1090000000-d064e2dc9324b6bb1b7c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01oy-9670000000-2e28860d7dc4bf289e2a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01ox-9540000000-4c9b875fbe53b08d052e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-3290000000-40be43524d9bc027b144 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-2920000000-635b17b240ee879b7463 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a5l-9100000000-b05ae1e2706c36b523c3 | 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 | 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 | 83393 |
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| PubChem Compound ID | 9881821 |
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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 | |
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