Basic information
- CAS
56484-52-7- Standard SMILES
C/C=C/CSc1ccccc1O- InChIKey
QGSKBYMOGHDRGI-NSCUHMNNSA-N- Molecular formula
- C10H12OS
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.06088618
Names & identifiers
- Preferred name
- 2-(2-Butenyl)thiophenol
- IUPAC
- 2-[(E)-but-2-enyl]sulfanylphenol
Names & synonyms
2-(2-Butenyl)thiophenolPhenol, o-(2-butenylthio)-SCHEMBL77770(E)-2-(but-2-enylthio)phenolDTXSID6010208832-[(2E)-2-Butenylsulfanyl]phenol #2-[(2E)-But-2-en-1-ylsulfanyl]phenol56484-52-72-{[(2E)-but-2-en-1-yl]sulfanyl}phenol
Database identifiers
- CAS
56484-52-7- PubChem CID
- 5364810
- DTXSID
DTXSID601020883- Nikkaji
- J101.870A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Related reactions
1 records
Compound notes
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