Basic information
- CAS
79998-82-6- Standard SMILES
C=C(C)/C=C/S(=O)c1ccccc1- InChIKey
KPAFHARRCDLGAI-CMDGGOBGSA-N- Molecular formula
- C11H12OS
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.06088618
Names & identifiers
- Preferred name
- [(1E)-3-methylbuta-1,3-dienyl]sulfinylbenzene
- IUPAC
- [(1E)-3-methylbuta-1,3-dienyl]sulfinylbenzene
Names & synonyms
[(1E)-3-methylbuta-1,3-dienyl]sulfinylbenzene79998-82-6NSC354285[(1E)-3-methylbuta-1,3-diene-1-sulfinyl]benzeneDTXSID50422051NSC-354285
Database identifiers
- CAS
79998-82-6- PubChem CID
- 6138418
- DTXSID
DTXSID50422051- Nikkaji
- J1.365.484K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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