3-(benzylsulfinylmethyl)-3-methyloxetane

C12H16O2S — CID 171355111

IUPAC3-(benzylsulfinylmethyl)-3-methyloxetane
SMILESCC1(CS(=O)Cc2ccccc2)COC1
InChIInChI=1S/C12H16O2S/c1-12(8-14-9-12)10-15(13)7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyYFDFDUBIBGZFTM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.97
Rot. Bonds4

About 3-(benzylsulfinylmethyl)-3-methyloxetane

3-(benzylsulfinylmethyl)-3-methyloxetane (PubChem CID 171355111) has the molecular formula C12H16O2S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(benzylsulfinylmethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(benzylsulfinylmethyl)-3-methyloxetane
PubChem CID171355111
Molecular FormulaC12H16O2S
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Name3-(benzylsulfinylmethyl)-3-methyloxetane
SMILESCC1(CS(=O)Cc2ccccc2)COC1
InChIInChI=1S/C12H16O2S/c1-12(8-14-9-12)10-15(13)7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyYFDFDUBIBGZFTM-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-(Methylsulphinyl)toluene
CID 69991
Benzene, [(hexylsulfinyl)methyl]-
CID 2249213
1-(Benzylsulfinyl)-3-ethoxy-2-propanol
CID 3670604
Benzyl octyl sulfoxide
CID 15632681
3-(Prop-2-enyldisulfanyl)prop-2-enylsulfinylmethylbenzene
CID 70695704
3-Methyl-3-((phenylsulfinyl)methyl)oxetane
CID 129038017
O-n-Butyl-S-benzyl-xanthate
CID 22192
Ethyl phenylmethanesulfonate
CID 21946613
1-(Benzylsulfinyl)-3-isopropoxy-2-propanol
CID 2843110
(Butane-1-sulfinylmethyl)-benzene
CID 3110884
[(E)-3-(prop-2-enyldisulfanyl)prop-2-enyl]sulfinylmethylbenzene
CID 44580572
[(2-Methylpropane-2-sulfonyl)methyl]benzene
CID 242410

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfinylmethyl)-3-methyloxetane?
The IUPAC name of 3-(benzylsulfinylmethyl)-3-methyloxetane (CID 171355111) is 3-(benzylsulfinylmethyl)-3-methyloxetane.
What is the SMILES notation for 3-(benzylsulfinylmethyl)-3-methyloxetane?
The canonical SMILES for 3-(benzylsulfinylmethyl)-3-methyloxetane is CC1(CS(=O)Cc2ccccc2)COC1.
What is the InChIKey of 3-(benzylsulfinylmethyl)-3-methyloxetane?
The InChIKey is YFDFDUBIBGZFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-12(8-14-9-12)10-15(13)7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 3-(benzylsulfinylmethyl)-3-methyloxetane?
3-(benzylsulfinylmethyl)-3-methyloxetane has a molecular weight of 224.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfinylmethyl)-3-methyloxetane is sourced from PubChem (CID 171355111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).