Basic information
- CAS
63753-47-9- Standard SMILES
C=CC(C)(O)CS(=O)c1ccccc1- InChIKey
QEDJOZBXASALGB-UHFFFAOYSA-N- Molecular formula
- C11H14O2S
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.07145086
Names & identifiers
- Preferred name
- 1-(Benzenesulfinyl)-2-methylbut-3-en-2-ol
- IUPAC
- 1-(benzenesulfinyl)-2-methylbut-3-en-2-ol
Names & synonyms
63753-47-91-(benzenesulfinyl)-2-methylbut-3-en-2-olNSC297534DTXSID00315803NSC-297534
Database identifiers
- CAS
63753-47-9- PubChem CID
- 326342
- DTXSID
DTXSID00315803- Nikkaji
- J1.118.078G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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