Methyl [(4-chlorophenyl)sulfanyl](3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
Basic information
- CAS
54255-38-8- Standard SMILES
COC(=O)C(Sc1ccc(Cl)cc1)C1SC(=S)N(C)C1=O- InChIKey
BCVTVHRACQUNHO-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO3S3
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 360.9667845
Names & identifiers
- Preferred name
- Methyl [(4-chlorophenyl)sulfanyl](3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
- IUPAC
- methyl 2-(4-chlorophenyl)sulfanyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
Names & synonyms
54255-38-8NSC303571DTXSID10316442NSC-3035715-Thiazolidineacetic acid, methyl esterMethyl [(4-chlorophenyl)sulfanyl](3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetateDS-0057805-Thiazolidineacetic acid, .alpha.-[(4-chlorophenyl)thio]-3-methyl-4-oxo-2-thioxo-, methyl ester
Database identifiers
- CAS
54255-38-8- PubChem CID
- 327644
- DTXSID
DTXSID10316442
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
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Related reactions
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Compound notes
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