1-Methyl-4-(neopentylsulfonyl)benzene

HCID 4153525
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)CC(C)(C)C)cc1
InChIKey
DADNWSCRYXGOGY-UHFFFAOYSA-N
Molecular formula
C12H18O2S
Average molar mass
226.34 g/mol
Monoisotopic mass
226.10275099

Names & identifiers

Preferred name
1-Methyl-4-(neopentylsulfonyl)benzene
IUPAC
1-(2,2-dimethylpropylsulfonyl)-4-methylbenzene

Names & synonyms

1-methyl-4-(neopentylsulfonyl)benzene198284-11-6SCHEMBL507150DADNWSCRYXGOGY-UHFFFAOYSA-NAKOS024324477DS-0219281-(2,2-dimethyl-propane-1-sulfonyl)-4-methyl-benzene

Database identifiers

PubChem CID
4153525

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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