5-Chloro-2-[(4-methylbenzoyl)carbamothioylamino]benzoic acid
Basic information
- CAS
637728-30-4- Standard SMILES
Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1- InChIKey
ANUDWXCNPSFLSH-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O3S
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0335411
Names & identifiers
- Preferred name
- 5-Chloro-2-[(4-methylbenzoyl)carbamothioylamino]benzoic acid
- IUPAC
- 5-chloro-2-[(4-methylbenzoyl)carbamothioylamino]benzoic acid
- English name
- 5-Chloro-2-[[[(4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid
- Molecular formula
- C16H13ClN2O3S
- Molecular weight
- 348.8
Names & synonyms
5-chloro-2-[(4-methylbenzoyl)carbamothioylamino]benzoic acid637728-30-4DTXSID40359347AKOS0002934645-Chloro-2-{[(4-methylbenzoyl)carbamothioyl]amino}benzoic acid5-Chloro-2-[[[(4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acidBENZOIC ACID, 5-CHLORO-2-[[[(4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-
Database identifiers
- CAS
637728-30-4- PubChem CID
- 960492
- DTXSID
DTXSID40359347
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…