Basic information
- Standard SMILES
COc1cc(C(=O)CSCC(O)CO)cc(OC)c1OC- InChIKey
JRVKJMLVRCEUME-UHFFFAOYSA-N- Molecular formula
- C14H20O6S
- Average molar mass
- 316.37 g/mol
Names & identifiers
- Preferred name
- 2-(2,3-Dihydroxypropylthio)-3',4',5'-trimethoxyacetophenone
- IUPAC
- 2-(2,3-dihydroxypropylsulfanyl)-1-(3,4,5-trimethoxyphenyl)ethanone
Names & synonyms
SCHEMBL6819306JRVKJMLVRCEUME-UHFFFAOYSA-N2-(2,3-dihydroxypropylthio)-3',4',5'-trimethoxyacetophenone
Database identifiers
- PubChem CID
- 21850159
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
Related reactions
2 records
Compound notes
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