Basic information
- CAS
433942-71-3- Standard SMILES
O=C(O)c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1- InChIKey
FSRHFAVODNDGPS-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O3S
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.0178911
Names & identifiers
- Preferred name
- 3-[(3-Chlorobenzoyl)carbamothioylamino]benzoic acid
- IUPAC
- 3-[(3-chlorobenzoyl)carbamothioylamino]benzoic acid
- English name
- 3-[[[(3-Chlorobenzoyl)amino]thioxomethyl]amino]-benzoic acid
- Molecular formula
- C15H11ClN2O3S
- Molecular weight
- 334.78
Names & synonyms
433942-71-3STK1055073-({[(3-chlorophenyl)carbonyl]carbamothioyl}amino)benzoic acid3-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID3-[(3-chlorobenzoyl)carbamothioylamino]benzoic acidDTXSID20355443AKOS0001028243-{[(3-Chlorobenzoyl)carbamothioyl]amino}benzoic acid3-({[(3-chlorobenzoyl)amino]carbonothioyl}amino)benzoic acidBENZOIC ACID, 3-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-
Database identifiers
- CAS
433942-71-3- PubChem CID
- 801367
- DTXSID
DTXSID20355443
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Chemistry & industry
Suppliers1 total
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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