Basic information
- CAS
23509-60-6- Standard SMILES
CC(=O)OCCC1SC(=S)N(c2ccccc2)C1(C)O- InChIKey
TYVJTSMKBQREAZ-UHFFFAOYSA-N- Molecular formula
- C14H17NO3S2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.06498575
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
- IUPAC
- 2-(4-hydroxy-4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Names & synonyms
23509-60-6DTXSID109462032-(4-hydroxy-4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetateRefChem:1061254DTXCID6013744944-Hydroxy-5-(2-hydroxyethyl)-4-methyl-3-phenyl-2-thiazolidinethione 5-acetate2-Thiazolidinethione, 4-hydroxy-5-(2-hydroxyethyl)-4-methyl-3-phenyl-, 5-acetate
Database identifiers
- CAS
23509-60-6- PubChem CID
- 211641
- DTXSID
DTXSID10946203
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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