Basic information
- CAS
173046-05-4- Standard SMILES
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC2CC2)c1- InChIKey
JFOJNMXPPYADJW-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO3S
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0539422
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, cyclopropylmethyl ester
- IUPAC
- cyclopropylmethyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate
Names & synonyms
UC70UC-70M5ZJ3E4PBU173046-05-4Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, cyclopropylmethyl esterUNII-M5ZJ3E4PBUNSC 638534NSC6385342-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, cyclopropylmethyl esterNSC-638534cyclopropylmethyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoateCyclopropylmethyl 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)benzoate
Show more names
Cyclopropylmethyl 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]benzoate2-Chloro-5-{[1-(2-methyl-furan-3-yl)-methanethioyl]-amino}-benzoic acid, cyclopropylmethyl esterBenzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]-, cyclopropylmethyl esterCHEMBL421015SCHEMBL29842930DTXSID00169505NCI60_012893
Database identifiers
- CAS
173046-05-4- PubChem CID
- 3000930
- DTXSID
DTXSID00169505- ChEMBL
CHEMBL421015
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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