3-Methylbutylsulfanylbenzene
Basic information
- CAS
13910-11-7- Standard SMILES
CC(C)CCSc1ccccc1- InChIKey
DTADFKNTXRGGOR-UHFFFAOYSA-N- Molecular formula
- C11H16S
- Average molar mass
- 180.31 g/mol
- Monoisotopic mass
- 180.09727168
Names & identifiers
- Preferred name
- 3-Methylbutylsulfanylbenzene
- IUPAC
- 3-methylbutylsulfanylbenzene
Names & synonyms
3-methylbutylsulfanylbenzeneisopentyl phenyl sulfide13910-11-7[(3-methylbutyl)sulfanyl]benzeneNSC138985SCHEMBL638290SCHEMBL11379220DTXSID50300784NSC-138985DS-014294
Database identifiers
- CAS
13910-11-7- PubChem CID
- 283785
- DTXSID
DTXSID50300784- Nikkaji
- J761.216H
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 104
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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