Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, cyclohexyl ester
Basic information
- CAS
178870-18-3- Standard SMILES
O=C(OC1CCCCC1)c1cc(NC(=S)c2ccsc2)ccc1Cl- InChIKey
YBRIBQYSMXAYEM-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO2S2
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.0467489
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, cyclohexyl ester
- IUPAC
- cyclohexyl 2-chloro-5-(thiophene-3-carbothioylamino)benzoate
Names & synonyms
UC-16UC16178870-18-3Y443WVA8XFBenzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, cyclohexyl esterUNII-Y443WVA8XFNSC 648352NSC648352NSC-648352Cyclohexyl 2-chloro-5-((3-thienylthioxomethyl)amino)benzoateCyclohexyl 2-chloro-5-[(3-thienylthioxomethyl)amino]benzoateBenzoic acid, 2-chloro-5-[(3-thienylthioxomethyl)amino]-, cyclohexyl ester
Show more names
cyclohexyl 2-chloro-5-(thiophene-3-carbothioylamino)benzoateCHEMBL327962SCHEMBL29572018DTXSID80170573Cyclohexyl 2-chloro-5-[(thiophene-3-carbothioyl)amino]benzoate
Database identifiers
- CAS
178870-18-3- PubChem CID
- 3000949
- DTXSID
DTXSID80170573- ChEMBL
CHEMBL327962- UNII
- Y443WVA8XF
- Nikkaji
- J672.467A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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