Basic information
- CAS
78998-83-1- Standard SMILES
O=CC=CSc1ccccc1- InChIKey
PXFLRESLTPQAMY-UHFFFAOYSA-N- Molecular formula
- C9H8OS
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.02958605
Names & identifiers
- Preferred name
- 2-Propenal, 3-(phenylthio)-
- IUPAC
- 3-phenylsulfanylprop-2-enal
Names & synonyms
2-Propenal, 3-(phenylthio)-78998-83-13-(phenylsulfanyl)prop-2-enalSCHEMBL30672016DTXSID10395353
Database identifiers
- CAS
78998-83-1- PubChem CID
- 3710110
- DTXSID
DTXSID10395353
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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