3-Methyl-3-[(4-methylbenzene-1-sulfonyl)methyl]oxetane

HCID 22015262CAS 140895-69-8
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)CC2(C)COC2)cc1
InChIKey
KLYSWDGMCLWRPE-UHFFFAOYSA-N
Molecular formula
C12H16O3S
Average molar mass
240.32 g/mol
Monoisotopic mass
240.08201537

Names & identifiers

Preferred name
3-Methyl-3-[(4-methylbenzene-1-sulfonyl)methyl]oxetane
IUPAC
3-methyl-3-[(4-methylphenyl)sulfonylmethyl]oxetane

Names & synonyms

140895-69-8SCHEMBL1552923-Methyl-3-Tosylmethyloxetane3-Methyl-3-[(4-methylbenzene-1-sulfonyl)methyl]oxetane3-Methyl-3-(tosylmethyl)oxetaneDTXSID40621511KLYSWDGMCLWRPE-UHFFFAOYSA-N

Database identifiers

CAS
140895-69-8
PubChem CID
22015262
DTXSID
DTXSID40621511
Nikkaji
J991.341F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Related reactions

1 records
New reaction record

Linked notes

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