Basic information
- Standard SMILES
COC(=O)C1=C(O)CCSC1- InChIKey
SERSSVBCNFWBJX-UHFFFAOYSA-N- Molecular formula
- C7H10O3S
- Average molar mass
- 174.22 g/mol
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-5,6-dihydro-2H-thiopyran-3-carboxylate
- IUPAC
- methyl 4-hydroxy-3,6-dihydro-2H-thiopyran-5-carboxylate
Names & synonyms
Methyl 4-hydroxy-5,6-dihydro-2H-thiopyran-3-carboxylate109276-67-7SCHEMBL2642195SERSSVBCNFWBJX-UHFFFAOYSA-NDB-1433094-hydroxy-5,6-dihydro-2H-thiopyran-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67482118
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 198
Related reactions
5 records
Compound notes
Loading…