1-(Butylthio)-3-methylbenzene
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Basic information
- CAS
54576-41-9- Standard SMILES
CCCCSc1cccc(C)c1- InChIKey
ZBSYXBWBSAXZMZ-UHFFFAOYSA-N- Molecular formula
- C11H16S
- Average molar mass
- 180.31 g/mol
- Monoisotopic mass
- 180.09727168
Names & identifiers
- Preferred name
- 1-(Butylthio)-3-methylbenzene
- IUPAC
- 1-butylsulfanyl-3-methylbenzene
- English name
- 3-Methylphenylbutyl sulfide
- Molecular formula
- C11H16S
- Molecular weight
- 180.31
Names & synonyms
1-(BUTYLTHIO)-3-METHYLBENZENE54576-41-91-(Butylsulfanyl)-3-methylbenzeneBenzene, 1-(butylthio)-3-methyl-SCHEMBL425169SCHEMBL9091809DTXSID90203003ZBSYXBWBSAXZMZ-UHFFFAOYSA-N1-(Butylsulfanyl)-3-methylbenzene #butyl(m-tolyl)sulfaneButyl(m-tolyl) sulfide3-Methylphenylbutyl sulfide
Database identifiers
- CAS
54576-41-9- PubChem CID
- 41130
- DTXSID
DTXSID90203003- Nikkaji
- J101.850G
Properties
Computed structural propertiesFilling in
- 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
0 records
No reaction records under the current filter.
Compound notes
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