Basic information
- CAS
462096-67-9- Standard SMILES
Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(Cl)c1- InChIKey
UZEPPFURYKHFFX-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O3S
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0335411
Names & identifiers
- Preferred name
- 3-[(3-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid
- IUPAC
- 3-[(3-chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid
- English name
- 3-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
- Molecular formula
- C16H13ClN2O3S
- Molecular weight
- 0
Names & synonyms
3-[(3-chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid462096-67-9Oprea1_419408DTXSID80359346AKOS0001028403-{[(3-Chlorobenzoyl)carbamothioyl]amino}-4-methylbenzoic acid3-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACIDBENZOIC ACID, 3-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-
Database identifiers
- CAS
462096-67-9- PubChem CID
- 960386
- DTXSID
DTXSID80359346
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
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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