5-(2-(Acetyloxy)ethyl)-4-hydroxy-3,4-dimethyl-2-thiazolidinethione
Basic information
- CAS
23509-56-0- Standard SMILES
CC(=O)OCCC1SC(=S)N(C)C1(C)O- InChIKey
SOCZEGFQIORQAR-UHFFFAOYSA-N- Molecular formula
- C9H15NO3S2
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.04933569
Names & identifiers
- Preferred name
- 5-(2-(Acetyloxy)ethyl)-4-hydroxy-3,4-dimethyl-2-thiazolidinethione
- IUPAC
- 2-(4-hydroxy-3,4-dimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Names & synonyms
23509-56-0RefChem:10723655-(2-(Acetyloxy)ethyl)-4-hydroxy-3,4-dimethyl-2-thiazolidinethione3,4-Dimethyl-4-hydroxy-5-(2-hydroxyethyl)-2-thiazolidinethione 5-acetate2-(4-hydroxy-3,4-dimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate2-Thiazolidinethione, 3,4-dimethyl-4-hydroxy-5-(2-hydroxyethyl)-, 5-acetateDTXSID80946199
Database identifiers
- CAS
23509-56-0- PubChem CID
- 211637
- DTXSID
DTXSID80946199
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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