Basic information
- Standard SMILES
CCCCSc1ccccc1C- InChIKey
RNLYLNHPQLCRFI-UHFFFAOYSA-N- Molecular formula
- C11H16S
- Average molar mass
- 180.31 g/mol
- Monoisotopic mass
- 180.09727168
Names & identifiers
- Preferred name
- Sulfide, butyl o-tolyl
- IUPAC
- 1-butylsulfanyl-2-methylbenzene
Names & synonyms
Butyl 2-methylphenyl sulfide15560-99-3Sulfide, butyl o-tolyl1-butylsulfanyl-2-methylbenzenen-Butyl 2-Methylphenyl Sulfidetolyl-n-butylsulfideSCHEMBL2974208SCHEMBL72646401-(Butylsulfanyl)-2-methylbenzene #AKOS005216198
Database identifiers
- PubChem CID
- 580217
- Nikkaji
- J101.849C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Related reactions
2 records
Compound notes
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