Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-
Basic information
- CAS
146558-39-6- Standard SMILES
C=C(c1ccc(SC)cc1)C(C)(C)C- InChIKey
RYYOLWGCONEHGL-UHFFFAOYSA-N- Molecular formula
- C13H18S
- Average molar mass
- 206.35 g/mol
- Monoisotopic mass
- 206.11292175
Names & identifiers
- Preferred name
- Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-
- IUPAC
- 1-(3,3-dimethylbut-1-en-2-yl)-4-methylsulfanylbenzene
- English name
- Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-
- Molecular formula
- C13H18S
- Molecular weight
- 206.35
Names & synonyms
146558-39-6Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-DTXSID70163398RefChem:323542DTXCID90858891-(3,3-dimethylbut-1-en-2-yl)-4-methylsulfanylbenzeneSCHEMBL202904421-(3,3-dimethylbut-1-en-2-yl)-4-(methylsulfanyl)benzene
Database identifiers
- CAS
146558-39-6- PubChem CID
- 145647
- DTXSID
DTXSID70163398- Nikkaji
- J1.076.182D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
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Compound notes
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