Benzene, 1-methyl-4-((1-methylethyl)thio)-
Basic information
- CAS
14905-81-8- Standard SMILES
Cc1ccc(SC(C)C)cc1- InChIKey
LXDBBXHXMUZFBP-UHFFFAOYSA-N- Molecular formula
- C10H14S
- Average molar mass
- 166.29 g/mol
- Monoisotopic mass
- 166.08162162
Names & identifiers
- Preferred name
- Benzene, 1-methyl-4-((1-methylethyl)thio)-
- IUPAC
- 1-methyl-4-propan-2-ylsulfanylbenzene
- English name
- Isopropyl 4-methylphenyl sulfide
- Molecular formula
- C10H14S
- Molecular weight
- 166.28
Names & synonyms
14905-81-8Benzene, 1-methyl-4-[(1-methylethyl)thio]-Benzene, 1-methyl-4-((1-methylethyl)thio)-DTXSID80164159RefChem:1078242DTXCID8086650Isopropyl 4-methylphenyl sulfideIsopropyl p-tolyl sulfide1-Methyl-4-[(1-methylethyl)thio]benzeneSulfide, isopropyl p-tolyl1-methyl-4-propan-2-ylsulfanylbenzene1-methyl-4-(propan-2-ylsulfanyl)benzene
Show more names
Isopropyl(4-methylphenyl) sulfide
MFCD00869799Isopropyl p-cresyl sulfideSCHEMBL1454132SCHEMBL1454134LXDBBXHXMUZFBP-UHFFFAOYSA-N1-isopropylsulfanyl-4-methyl-benzeneiso-Propyl (4-methylphenyl) sulfide1-(Isopropylsulfanyl)-4-methylbenzene
Database identifiers
- CAS
14905-81-8- PubChem CID
- 139846
- DTXSID
DTXSID80164159- Nikkaji
- J100.243K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 14 Torr)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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