Basic information
- CAS
434312-63-7- Standard SMILES
Cc1c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cccc1C(=O)O- InChIKey
RVLJAGFQKJOMGB-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N2O3S
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 381.9945688
Names & identifiers
- Preferred name
- 3-[(3,4-Dichlorobenzoyl)carbamothioylamino]-2-methylbenzoic acid
- IUPAC
- 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-2-methylbenzoic acid
- English name
- 3-[[[(3,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
- Molecular formula
- C16H12Cl2N2O3S
- Molecular weight
- 383.25
Names & synonyms
3-[(3,4-dichlorobenzoyl)carbamothioylamino]-2-methylbenzoic acid434312-63-7DTXSID50403825AKOS0001032713-{[(3,4-Dichlorobenzoyl)carbamothioyl]amino}-2-methylbenzoic acid3-[[[(3,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACIDBENZOIC ACID, 3-[[[(3,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-
Database identifiers
- CAS
434312-63-7- PubChem CID
- 4507529
- DTXSID
DTXSID50403825
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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