Basic information
- CAS
178870-24-1- Standard SMILES
CC(C)OC(=O)c1cc(NC(=S)c2cccs2)ccc1Cl- InChIKey
CUVFLNYWTBFOBG-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO2S2
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.0154487
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-((2-thienylthioxomethyl)amino)-, 1-methylethyl ester
- IUPAC
- propan-2-yl 2-chloro-5-(thiophene-2-carbothioylamino)benzoate
Names & synonyms
178870-24-1Benzoic acid, 2-chloro-5-((2-thienylthioxomethyl)amino)-, 1-methylethyl esterBenzoic acid, 2-chloro-5-[(2-thienylthioxomethyl)amino]-, 1-methylethyl esterDTXSID40170579isopropyl 2-chloro-5-(thiophene-2-carbothioylamino)benzoatePropan-2-yl 2-chloro-5-[(thiophene-2-carbothioyl)amino]benzoate
Database identifiers
- CAS
178870-24-1- PubChem CID
- 3000962
- DTXSID
DTXSID40170579
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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