bis(methylsulfinyl)methylbenzene

C9H12O2S2 — CID 173250906

IUPACbis(methylsulfinyl)methylbenzene
SMILESCS(=O)C(c1ccccc1)S(C)=O
InChIInChI=1S/C9H12O2S2/c1-12(10)9(13(2)11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyOLSWEMXFXDHCEV-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.44
Rot. Bonds3

About bis(methylsulfinyl)methylbenzene

bis(methylsulfinyl)methylbenzene (PubChem CID 173250906) has the molecular formula C9H12O2S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is bis(methylsulfinyl)methylbenzene.

Molecular Properties

Compound Namebis(methylsulfinyl)methylbenzene
PubChem CID173250906
Molecular FormulaC9H12O2S2
Molecular Weight216.33 g/mol
Exact Mass216.03
IUPAC Namebis(methylsulfinyl)methylbenzene
SMILESCS(=O)C(c1ccccc1)S(C)=O
InChIInChI=1S/C9H12O2S2/c1-12(10)9(13(2)11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyOLSWEMXFXDHCEV-UHFFFAOYSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
[(1R)-1-methylsulfinylethyl]benzene
CID 15685613
CID 68539443
CID 68539443
cumene;methylsulfinylbenzene
CID 143291926
fluoro(phenyl)methanesulfinate
CID 18935920
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 103897213
diphenylmethanesulfinyl chloride
CID 140576973
1-phenylethanesulfinate;sulfuric acid
CID 174523812
1-(methyldisulfanyl)-3-[methylsulfinyl(phenyl)methyl]benzene
CID 155025894
2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
CID 115898754
(1S,2S)-1-nitro-2-phenylethane-1,2-diol
CID 101193142
1-phenylprop-2-ynyl methanesulfinate
CID 11805600

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfinyl)methylbenzene?
The IUPAC name of bis(methylsulfinyl)methylbenzene (CID 173250906) is bis(methylsulfinyl)methylbenzene.
What is the SMILES notation for bis(methylsulfinyl)methylbenzene?
The canonical SMILES for bis(methylsulfinyl)methylbenzene is CS(=O)C(c1ccccc1)S(C)=O.
What is the InChIKey of bis(methylsulfinyl)methylbenzene?
The InChIKey is OLSWEMXFXDHCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S2/c1-12(10)9(13(2)11)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of bis(methylsulfinyl)methylbenzene?
bis(methylsulfinyl)methylbenzene has a molecular weight of 216.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfinyl)methylbenzene is sourced from PubChem (CID 173250906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).