Basic information
- CAS
532386-24-6- Standard SMILES
O=C(Cc1ccccc1)NC(=S)Nc1cc(C(=O)O)ccc1Cl- InChIKey
CEEJCPBWVNSQAX-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O3S
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0335411
Names & identifiers
- Preferred name
- 4-Chloro-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid
- IUPAC
- 4-chloro-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid
- English name
- 4-CHLORO-3-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
- Molecular formula
- C16H13ClN2O3S
- Molecular weight
- 348.8
Names & synonyms
4-chloro-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acidSTK032426532386-24-6DTXSID10359334AKOS000294031DB-304193DB-3249464-chloro-3-({[(phenylacetyl)amino]carbonothioyl}amino)benzoic acid4-CHLORO-3-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID3,5-Dichloro-2-[[[[(4-chlorophenyl)acetyl ]amino]thioxomethyl ]amino]-benzoic acid532386-42-84-CHLORO-3-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Show more names
BENZOIC ACID, 4-CHLORO-3-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-Benzoic acid, 4-chloro-3-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-
Database identifiers
- CAS
532386-24-6- PubChem CID
- 959632
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Chemistry & industry
Suppliers1 total
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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