Phenyl propyl sulfide
Basic information
- CAS
874-79-3- Standard SMILES
CCCSc1ccccc1- InChIKey
NWYDLOBJQIJDGH-UHFFFAOYSA-N- Molecular formula
- C9H12S
- Average molar mass
- 152.26 g/mol
- Monoisotopic mass
- 152.06597156
Names & identifiers
- Preferred name
- Phenyl propyl sulfide
- IUPAC
- propylsulfanylbenzene
- English name
- PHENYL N-PROPYL SULPHIDE
- Molecular formula
- C9H12S
- Molecular weight
- 152.26
Names & synonyms
Phenyl propyl sulfideBenzene, (propylthio)-(Propylthio)benzeneBRN 1857536DTXSID602363284-06-00-01470 (Beilstein Handbook Reference)RefChem:172970Benzene, (propylthio)-(9CI)DTXCID60158819NWYDLOBJQIJDGH-UHFFFAOYSA-N874-79-3propylsulfanylbenzene
Show more names
phenylpropylsulfide(propylthio)-benzenpropylphenylsulfidesulfide,phenylpropylbenzene,(propylthio)-
Propyl phenyl sulfiden-Propyl phenyl sulfide(1-Thiabutyl)benzene(Propylsulfanyl)benzenePhenyl n-propyl sulfideSULFIDE, PHENYL PROPYLFenyl-propylsulfidphenyl(propyl)sulfane
Database identifiers
- CAS
874-79-3- PubChem CID
- 13407
- DTXSID
DTXSID60236328- UNII
- D272CA2KWS
- Nikkaji
- J100.045D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -45 °C · -45°C
- Boiling point
- 219.55 °C · 219.55°C
- Density
- 0.9952 · 0.9952
- refractive index
- 1.5551 · 1.5551
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 272 CA2KWS · D272CA2KWS
- 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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