1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene

C15H16O2S2 — CID 163864796

IUPAC1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
SMILESCc1ccccc1S(=O)CS(=O)c1ccccc1C
InChIInChI=1S/C15H16O2S2/c1-12-7-3-5-9-14(12)18(16)11-19(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyXMALIHBFWYLAPF-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.18
Rot. Bonds4

About 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene

1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene (PubChem CID 163864796) has the molecular formula C15H16O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
PubChem CID163864796
Molecular FormulaC15H16O2S2
Molecular Weight292.43 g/mol
Exact Mass292.06
IUPAC Name1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
SMILESCc1ccccc1S(=O)CS(=O)c1ccccc1C
InChIInChI=1S/C15H16O2S2/c1-12-7-3-5-9-14(12)18(16)11-19(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyXMALIHBFWYLAPF-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
3-(2-methylphenyl)sulfinylpropanoic acid
CID 61303171
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328972
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
methyl 3-(2-methylphenyl)sulfinylpropanoate
CID 61303374
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638337
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64639348
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
tert-butyl 3-(2-methylphenyl)sulfinylpropanoate
CID 116662500

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene?
The IUPAC name of 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene (CID 163864796) is 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene.
What is the SMILES notation for 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene?
The canonical SMILES for 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene is Cc1ccccc1S(=O)CS(=O)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene?
The InChIKey is XMALIHBFWYLAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S2/c1-12-7-3-5-9-14(12)18(16)11-19(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene?
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene has a molecular weight of 292.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene is sourced from PubChem (CID 163864796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).