Methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate
Basic information
- CAS
54326-52-2- Standard SMILES
COC(=O)C(Sc1ccc(Cl)cc1)C1SC(=S)N(Cc2ccccc2)C1=O- InChIKey
SCFYJGSMZBGPRO-UHFFFAOYSA-N- Molecular formula
- C19H16ClNO3S3
- Average molar mass
- 438 g/mol
- Monoisotopic mass
- 436.9980846
Names & identifiers
- Preferred name
- Methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate
- IUPAC
- methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate
Names & synonyms
MLS00311578754326-52-2NSC303572CHEMBL1875542DTXSID70316443NSC-303572SMR001831353DS-0057825-THIAZOLIDINEACETICACID, A-[(4-CHLOROPHENYL)THIO]-4-OXO-3-(PHENYLMETHYL)-2-THIOXO-,METHYL ESTERMethyl (3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)[(4-chlorophenyl)sulfanyl]acetate
Database identifiers
- CAS
54326-52-2- PubChem CID
- 327645
- DTXSID
DTXSID70316443- ChEMBL
CHEMBL1875542
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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