Basic information
- CAS
23509-59-3- Standard SMILES
CC(=O)OCCC1SC(=S)N(Cc2ccccc2)C1(C)O- InChIKey
YQXUPORCTYPMDO-UHFFFAOYSA-N- Molecular formula
- C15H19NO3S2
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.08063582
Names & identifiers
- Preferred name
- 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate
- IUPAC
- 2-(3-benzyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Names & synonyms
23509-59-32-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetateRefChem:1064839BRN 02813723-Benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-2-thiazolidinethione 5-acetate2-(3-benzyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate4-27-00-03631 (Beilstein Handbook Reference)DTXSID50946202
Database identifiers
- CAS
23509-59-3- PubChem CID
- 211640
- DTXSID
DTXSID50946202
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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