1-(Hexylsulfanyl)-4-methylbenzene
Basic information
- CAS
5342-83-6- Standard SMILES
CCCCCCSc1ccc(C)cc1- InChIKey
UDVNNGADKKZXFY-UHFFFAOYSA-N- Molecular formula
- C13H20S
- Average molar mass
- 208.36 g/mol
- Monoisotopic mass
- 208.12857181
Names & identifiers
- Preferred name
- 1-(Hexylsulfanyl)-4-methylbenzene
- IUPAC
- 1-hexylsulfanyl-4-methylbenzene
- English name
- p-Cresyl n-hexyl sulfide
- Molecular formula
- C13H20S
- Molecular weight
- 208.36
Names & synonyms
1-(hexylsulfanyl)-4-methylbenzene5342-83-6DTXSID20277712RefChem:226722DTXCID702288701-hexylsulfanyl-4-methylbenzeneNSC3663SCHEMBL6304397SCHEMBL6552269NSC-3663NSC 3663Hexyl p-tolyl sulfide
Show more names
Sulfide hexyl p-tolylp-Cresyl n-hexyl sulfideHexyl 4-methylphenyl sulfideBenzene, 1-(hexylthio)-4-methyl-
Database identifiers
- CAS
5342-83-6- PubChem CID
- 220650
- DTXSID
DTXSID20277712- Nikkaji
- J817.713I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 294 ℃ · 294℃
- Density
- 0.95 · 0.95
- Flash point
- 128 ℃ · 128℃
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…