Benzene, 1-(ethenylthio)-4-methyl-
Basic information
- CAS
16336-54-2- Standard SMILES
C=CSc1ccc(C)cc1- InChIKey
RNVDLDAMMFSMIG-UHFFFAOYSA-N- Molecular formula
- C9H10S
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.05032149
Names & identifiers
- Preferred name
- Benzene, 1-(ethenylthio)-4-methyl-
- IUPAC
- 1-ethenylsulfanyl-4-methylbenzene
Names & synonyms
16336-54-2Benzene, 1-(ethenylthio)-4-methyl-DTXSID20480906RefChem:323624DTXCID204317161-(ETHENYLSULFANYL)-4-METHYLBENZENEvinyl 4-methylphenyl sulfideSCHEMBL5835289SCHEMBL10858546
Database identifiers
- CAS
16336-54-2- PubChem CID
- 12216618
- DTXSID
DTXSID20480906- Nikkaji
- J376.754J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
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Compound notes
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