Basic information
- CAS
54576-37-3- Standard SMILES
Cc1ccc(SCC(C)C)cc1- InChIKey
DLVHVWLLAJMHDY-UHFFFAOYSA-N- Molecular formula
- C11H16S
- Average molar mass
- 180.31 g/mol
- Monoisotopic mass
- 180.09727168
Names & identifiers
- Preferred name
- 1-Methyl-4-((2-methylpropyl)thio)benzene
- IUPAC
- 1-methyl-4-(2-methylpropylsulfanyl)benzene
- English name
- Isobutyl(p-tolyl) sulfide
- Molecular formula
- C11H16S
- Molecular weight
- 180.31
Names & synonyms
54576-37-31-METHYL-4-((2-METHYLPROPYL)THIO)BENZENEDTXSID30203002RefChem:231795DTXCID901254931-methyl-4-[(2-methylpropyl)sulfanyl]benzeneBenzene, 1-methyl-4-[(2-methylpropyl)thio]-Isobutyl (p-tolyl) sulfideSCHEMBL15855667DLVHVWLLAJMHDY-UHFFFAOYSA-N1-(Isobutylsulfanyl)-4-methylbenzene #DB-319667
Show more names
Isobutyl(p-tolyl) sulfide
Database identifiers
- CAS
54576-37-3- PubChem CID
- 41129
- DTXSID
DTXSID30203002- Nikkaji
- J101.845K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 157 °C · 157 °C(Press: 50 Torr)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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