Basic information
- CAS
70541-97-8- Standard SMILES
Cc1c(C#N)sc(C(N)=O)c1C- InChIKey
OQOIWRFVVMDMOK-UHFFFAOYSA-N- Molecular formula
- C8H8N2OS
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.03573406
Names & identifiers
- Preferred name
- 5-Cyano-3,4-dimethylthiophene-2-carboxamide
- IUPAC
- 5-cyano-3,4-dimethylthiophene-2-carboxamide
- English name
- 5-Cyano-3,4-dimethylthiophene-2-carboxamide
- Molecular formula
- C8H8N2OS
- Molecular weight
- 180.23
Names & synonyms
5-cyano-3,4-dimethylthiophene-2-carboxamide70541-97-8DTXSID50384428RefChem:302706DTXCID703354525-cyano-3,4-dimethyl-2-thiophenecarboxamideCDS1_000525Maybridge1_002813MLS000721452DivK1c_001565SCHEMBL5988926CHEMBL1319396
Show more names
2-Thiophenecarboxamide, 5-cyano-3,4-dimethyl-
HMS549H19OQOIWRFVVMDMOK-UHFFFAOYSA-NHMS2607A05CCG-55638AKOS006274347SMR000337078DB-0743209J-039
Database identifiers
- CAS
70541-97-8- PubChem CID
- 2804471
- DTXSID
DTXSID50384428- ChEMBL
CHEMBL1319396
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 192 °C · 192 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 289.3 · 289.3±40.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.50(Predicted)
Chemistry & industry
Suppliers2 total
Ryan Scientific, Inc.[email protected]
MOLEKULA[email protected]
Related reactions
5 records
Compound notes
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