Basic information
- CAS
165391-82-2- Standard SMILES
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC2CCCCC2)c1- InChIKey
YETSSBYWJQOUJZ-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3S
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.0852424
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, cyclohexyl ester
- IUPAC
- cyclohexyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate
Names & synonyms
UC-81UC 81NSC 639476165391-82-2NSC 615727Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, cyclohexyl ester2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, cyclohexyl esterDTXSID701679372-Chloro-5-{[1-(2-methyl-furan-3-yl)-methanethioyl]-amino}-benzoic acid, cyclohexyl esterBenzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]-, cyclohexyl esterRefChem:326851DTXCID9090428
Show more names
UC812J7E6Y2RMPUNII-2J7E6Y2RMPNSC639476NSC-639476cyclohexyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoateCyclohexyl 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)benzoateCyclohexyl 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]benzoate
Database identifiers
- CAS
165391-82-2- PubChem CID
- 3000960
- DTXSID
DTXSID70167937- ChEMBL
CHEMBL317980- UNII
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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