1-Methyl-4-(propylsulfonyl)benzene

HCID 284335
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Basic information

CAS
90926-25-3
Standard SMILES
CCCS(=O)(=O)c1ccc(C)cc1
InChIKey
UUWYUBKTWPLKKD-UHFFFAOYSA-N
Molecular formula
C10H14O2S
Average molar mass
198.28 g/mol
Monoisotopic mass
198.07145069

Names & identifiers

Preferred name
1-Methyl-4-(propylsulfonyl)benzene
IUPAC
1-methyl-4-propylsulfonylbenzene
English name
1-methyl-4-(propylsulfonyl)benzene
Molecular formula
C10H14O2S
Molecular weight
198.28

Names & synonyms

90926-25-31-methyl-4-(propylsulfonyl)benzene4-methylphenyl propyl sulfone1-METHYL-4-(PROPANE-1-SULFONYL)BENZENE1-methyl-4-propylsulfonylbenzeneNSC140146SCHEMBL92881SCHEMBL4092360SCHEMBL4398844DTXSID209200591-methyl-4-propylsulfonyl-benzeneUUWYUBKTWPLKKD-UHFFFAOYSA-N
Show more names
Benzene, 1-methyl-4-(propylsulfonyl)-
1-Methyl-4-(propylsulphonylbenZene4-methyl-1-(propylsulfonyl)benzeneMFCD02323308AKOS003653124NSC-140146DA-01172CS-0363882ST45104702

Database identifiers

CAS
90926-25-3
PubChem CID
284335
DTXSID
DTXSID20920059
Nikkaji
J2.947.391I

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Boiling point
336.5 · 336.5±25.0 °C(Predicted)
Density
1.098 · 1.098±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers2 total

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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