4-Hydroxy-5-methyl-3(2H)-thiophenone
Basic information
- CAS
26494-09-7- Standard SMILES
CC1=C(O)C(=O)CS1- InChIKey
GIVVLEIYPVKDNV-UHFFFAOYSA-N- Molecular formula
- C5H6O2S
- Average molar mass
- 130.17 g/mol
- Monoisotopic mass
- 130.0088506
Overview
4-Hydroxy-5-methyl-3(2H)-thiophenone is an organic sulfide and an enone.
Names & identifiers
- Preferred name
- 4-Hydroxy-5-methyl-3(2H)-thiophenone
- IUPAC
- 4-hydroxy-5-methylthiophen-3-one
Names & synonyms
4-Hydroxy-5-methyl-3(2H)-thiophenone26494-09-74-hydroxy-5-methylthiophen-3-one4-Hydroxy-5-methylthiophen-3(2H)-one3(2H)-Thiophenone, 4-hydroxy-5-methyl-XQ7A7KKB2SSCHEMBL11516977DTXSID80628069CHEBI:1733445-Methyl-4-oxidanyl-thiophen-3-one4-hydroxy-5-methyl-2,3-dihydrothiophen-3-one
Database identifiers
- CAS
26494-09-7- PubChem CID
- 22752005
- DTXSID
DTXSID80628069- ChEBI
CHEBI:173344- UNII
- XQ7A7KKB2S
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 160
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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