3-Methylthio-thiophene-2-carboxamide
Basic information
- CAS
78031-19-3- Standard SMILES
CSc1ccsc1C(N)=O- InChIKey
YAISXCVTYWZHNP-UHFFFAOYSA-N- Molecular formula
- C6H7NOS2
- Average molar mass
- 173.3 g/mol
- Monoisotopic mass
- 172.99690619
Names & identifiers
- Preferred name
- 3-Methylthio-thiophene-2-carboxamide
- IUPAC
- 3-methylsulfanylthiophene-2-carboxamide
Names & synonyms
3-Methylthio-thiophene-2-carboxamide3-(methylsulfanyl)thiophene-2-carboxamideYAISXCVTYWZHNP-UHFFFAOYSA-NDTXSID3012857213-(Methylthio)-2-thiophenecarboxamide78031-19-33-(Methylsulfanyl)-2-thiophenecarboxamide #
Database identifiers
- CAS
78031-19-3- PubChem CID
- 599477
- DTXSID
DTXSID301285721
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
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Compound notes
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