Butyl p-tolyl sulfide

HCID 304040
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Basic information

CAS
21784-96-3
Standard SMILES
CCCCSc1ccc(C)cc1
InChIKey
FUYIIAJEXUJNFA-UHFFFAOYSA-N
Molecular formula
C11H16S
Average molar mass
180.31 g/mol
Monoisotopic mass
180.09727168

Names & identifiers

Preferred name
Butyl p-tolyl sulfide
IUPAC
1-butylsulfanyl-4-methylbenzene
English name
(Butyl)(p-tolyl) sulfide
Molecular formula
C11H16S
Molecular weight
180.31

Names & synonyms

Butyl p-tolyl sulfiden-Butyl p-tolyl sulfide4-Methyl-1-(1-thiapentyl)benzeneSulfide, butyl p-tolyl21784-96-34-(n-Butylthio)toluene1-butylsulfanyl-4-methylbenzeneBenzene, 1-(butylthio)-4-methyl-RefChem:122286FUYIIAJEXUJNFA-UHFFFAOYSA-N1-(Butylsulfanyl)-4-methylbenzene(Butyl)(p-tolyl) sulfide
Show more names
p-Tolylbutyl sulfidebutyl(p-tolyl)sulfane4-Methylphenylbutyl sulfideButyl 4-methylphenyl sulfide1-(Butylthio)-4-methylbenzeneButyl(4-methylphenyl) sulfide
SCHEMBL424971n-Butyl 4-Methylphenyl SulfideSCHEMBL7595139SCHEMBL10843454DTXSID30944387NSC1948741-(Butylsulfanyl)-4-methylbenzene #AKOS005216199

Database identifiers

CAS
21784-96-3
PubChem CID
304040
DTXSID
DTXSID30944387
Nikkaji
J133.055A

Properties

Computed structural properties

XLogP
4
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12

Physicochemical properties

Boiling point
249 · 249-250 °C
Density
0.9165 g/cm3 · 0.9165 g/cm3

Chemistry & industry

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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