2-(3-Cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Basic information
- CAS
23509-58-2- Standard SMILES
CC(=O)OCCC1SC(=S)N(C2CCCCC2)C1(C)O- InChIKey
FCKYDENAUOZGHB-UHFFFAOYSA-N- Molecular formula
- C14H23NO3S2
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.11193594
Names & identifiers
- Preferred name
- 2-(3-Cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
- IUPAC
- 2-(3-cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Names & synonyms
23509-58-2DTXSID909462012-(3-cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetateRefChem:1061078DTXCID2013744923-Cyclohexyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-2-thiazolidinethione 5-acetate2-Thiazolidinethione, 3-cyclohexyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate
Database identifiers
- CAS
23509-58-2- PubChem CID
- 211639
- DTXSID
DTXSID90946201
Properties
Computed structural properties
- XLogP
- 2.8
- 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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