Basic information
- CAS
107947-00-2- Standard SMILES
CN(c1ccccc1)c1cscc1C(=O)O- InChIKey
FIZKARVLIVCPBA-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Overview
a chloride channel blocker
Names & identifiers
- Preferred name
- 4-N-methyl-N-phenylaminothiophene-3-carboxylic acid
- IUPAC
- 4-(N-methylanilino)thiophene-3-carboxylic acid
- English name
- 4-(methyl-phenyl-amino)thiophene-3-carboxylic acid
- Molecular formula
- C12H11NO2S
- Molecular weight
- 233.29
Names & synonyms
Mptc-4N3107947-00-24-N-Methyl-N-phenylaminothiophene-3-carboxylic acidDTXSID40148334RefChem:100004DTXCID40708254-[METHYL(PHENYL)AMINO]THIOPHENE-3-CARBOXYLIC ACID4-(methyl-phenyl-amino)thiophene-3-carboxylic acid3-Thiophenecarboxylic acid, 4-(methylphenylamino)-
Database identifiers
- CAS
107947-00-2- PubChem CID
- 147142
- DTXSID
DTXSID40148334- Nikkaji
- J541.641H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 400 · 400.0±30.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- pka
- 4.73 · 4.73±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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