Basic information
- CAS
175135-82-7- Standard SMILES
NC(=O)c1cccnc1Sc1ccc(Cl)cc1- InChIKey
QLLYWFCCGPTQGT-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2OS
- Average molar mass
- 264.73 g/mol
- Monoisotopic mass
- 264.0124118
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)thio]nicotinamide
- IUPAC
- 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
- English name
- 2-[(4-CHLOROPHENYL)THIO]NICOTINAMIDE
- Molecular formula
- C12H9ClN2OS
- Molecular weight
- 264.73
Names & synonyms
2-[(4-chlorophenyl)thio]nicotinamide175135-82-72-(4-chlorophenyl)sulfanylpyridine-3-carboxamide2-((4-Chlorophenyl)thio)nicotinamide2-[(4-chlorophenyl)sulfanyl]nicotinamideHMS546L08Maybridge1_001834Oprea1_7697852-[(4-chlorophenyl)sulfanyl]pyridine-3-carboxamideMLS000699637CHEMBL1459710DTXSID30352382
Show more names
2-(4-CHLOROPHENYLTHIO)PYRIDINE-3-CARBOXAMIDE3-Pyridinecarboxamide, 2-[(4-chlorophenyl)thio]-
HMS2605K14MFCD00052122AKOS015912080SMR000226631AI-204/31703025
Database identifiers
- CAS
175135-82-7- PubChem CID
- 725071
- DTXSID
DTXSID30352382- ChEMBL
CHEMBL1459710
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 209 °C · 209 °C
Chemistry & industry
Suppliers8 total
Ryan Scientific, Inc.[email protected]
INTRCHM-FLUR[email protected]
MAYBR-INT—
MATRIX[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
MOLEKULA[email protected]
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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