Basic information
- CAS
178870-06-9- Standard SMILES
O=C(OC1CCCCC1)c1cc(NC(=S)c2ccccc2F)ccc1Cl- InChIKey
XYWZWVJNEDAVQZ-UHFFFAOYSA-N- Molecular formula
- C20H19ClFNO2S
- Average molar mass
- 391.9 g/mol
- Monoisotopic mass
- 391.0809059
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((2-fluorophenyl)thioxomethyl)amino)-, cyclohexyl ester
- IUPAC
- cyclohexyl 2-chloro-5-[(2-fluorobenzenecarbothioyl)amino]benzoate
Names & synonyms
V86BFN25HA178870-06-9NSC 640266Benzoic acid, 2-chloro-5-(((2-fluorophenyl)thioxomethyl)amino)-, cyclohexyl esterNSC-640266Cyclohexyl 2-chloro-5-(((2-fluorophenyl)thioxomethyl)amino)benzoateDTXSID70170562Cyclohexyl 2-chloro-5-{[(2-fluorophenyl)thioxomethyl]amino}benzoateBenzoic acid, 2-chloro-5-[[(2-fluorophenyl)thioxomethyl]amino]-, cyclohexyl esterRefChem:118350DTXCID0093053UNII-V86BFN25HA
Show more names
NSC640266CHEMBL100608cyclohexyl 2-chloro-5-[(2-fluorobenzenecarbothioyl)amino]benzoateCyclohexyl 2-chloro-5-[(2-fluorobenzene-1-carbothioyl)amino]benzoate
Database identifiers
- CAS
178870-06-9- PubChem CID
- 3000975
- DTXSID
DTXSID70170562- ChEMBL
CHEMBL100608- UNII
- V86BFN25HA
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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