Benzoic acid, 2-chloro-5-(((2-chlorophenyl)thioxomethyl)amino)-, cyclohexyl ester
Basic information
- CAS
135813-05-7- Standard SMILES
O=C(OC1CCCCC1)c1cc(NC(=S)c2ccccc2Cl)ccc1Cl- InChIKey
WYGWAASOIXQQJK-UHFFFAOYSA-N- Molecular formula
- C20H19Cl2NO2S
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.0513554
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((2-chlorophenyl)thioxomethyl)amino)-, cyclohexyl ester
- IUPAC
- cyclohexyl 2-chloro-5-[(2-chlorobenzenecarbothioyl)amino]benzoate
Names & synonyms
135813-05-7Benzoic acid, 2-chloro-5-(((2-chlorophenyl)thioxomethyl)amino)-, cyclohexyl esterBenzoic acid, 2-chloro-5-[[(2-chlorophenyl)thioxomethyl]amino]-, cyclohexyl estercyclohexyl 2-chloro-5-[(2-chlorobenzenecarbothioyl)amino]benzoateCHEMBL101289DTXSID90159556Cyclohexyl 2-chloro-5-[(2-chlorobenzene-1-carbothioyl)amino]benzoate
Database identifiers
- CAS
135813-05-7- PubChem CID
- 3000907
- DTXSID
DTXSID90159556- ChEMBL
CHEMBL101289
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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