Basic information
- CAS
23509-62-8- Standard SMILES
CC(=O)OCCC1SC(=S)N(c2ccc(Cl)cc2)C1(C)O- InChIKey
HEFXMBXDVXLLAV-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO3S2
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.0260134
Names & identifiers
- Preferred name
- 2-Thiazolidinethione, 3-(p-chlorophenyl)-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate
- IUPAC
- 2-[3-(4-chlorophenyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl acetate
Names & synonyms
23509-62-83-(p-Chlorophenyl)-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-2-thiazolidinethione 5-acetate2-Thiazolidinethione, 3-(p-chlorophenyl)-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetateRefChem:2672762-[3-(4-chlorophenyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl acetateDTXSID30946205
Database identifiers
- CAS
23509-62-8- PubChem CID
- 211643
- DTXSID
DTXSID30946205
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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