Acetic acid, ((2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)phenyl)thio)-, ethyl ester
Basic information
- CAS
178870-50-3- Standard SMILES
CCOC(=O)CSc1cc(NC(=S)c2ccoc2C)ccc1Cl- InChIKey
DOQYEIOPPBUXBU-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO3S2
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.0260134
Names & identifiers
- Preferred name
- Acetic acid, ((2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)phenyl)thio)-, ethyl ester
- IUPAC
- ethyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]sulfanylacetate
Names & synonyms
178870-50-3Acetic acid, ((2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)phenyl)thio)-, ethyl ester(2-Chloro-5-((1-(2-methyl-furan-3-yl)methanethioyl)amino)phenylthio)-acetic acid ethyl esterAcetic acid, [[2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]phenyl]thio]-, ethyl esterDTXSID00170590ethyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]sulfanylacetateEthyl ({2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl}sulfanyl)acetate(2-Chloro-5-{[1-(2-methyl-furan-3-yl)-methanethioyl]-amino}-phenylsulfanyl)-acetic acid ethyl ester
Database identifiers
- CAS
178870-50-3- PubChem CID
- 3000902
- DTXSID
DTXSID00170590
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
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Related reactions
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Compound notes
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