3-chloro-N-(pyrrolidine-1-carbothioyl)-1-benzothiophene-2-carboxamide
Basic information
- CAS
642959-58-8- Standard SMILES
O=C(NC(=S)N1CCCC1)c1sc2ccccc2c1Cl- InChIKey
AOFYKSOMQGUWIV-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2OS2
- Average molar mass
- 324.9 g/mol
- Monoisotopic mass
- 324.0157831
Names & identifiers
- Preferred name
- 3-chloro-N-(pyrrolidine-1-carbothioyl)-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-N-(pyrrolidine-1-carbothioyl)-1-benzothiophene-2-carboxamide
- English name
- 3-Chloro-benzo(b)thiophene-2-carboxylic acid (pyrrolidine-1-carbothioyl)-amide
- Molecular formula
- C14H13ClN2OS2
- Molecular weight
- 324.85
Names & synonyms
3-chloro-N-(pyrrolidine-1-carbothioyl)-1-benzothiophene-2-carboxamideAKOS003422113ST505596793-CHLORO-BENZO(B)THIOPHENE-2-CARBOXYLIC ACID (PYRROLIDINE-1-CARBOTHIOYL)-AMIDEBenzo[b]thiophene-2-carboxamide, 3-chloro-N-(1-pyrrolidinylthioxomethyl)-
Database identifiers
- CAS
642959-58-8- PubChem CID
- 4094070
- EC Number
- 149-786-8
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Density
- 1.459 · 1.459±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.885 · 7.885±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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