methylsulfinylmethane

C2H6OS — CID 679

💊View drug profile → dimethyl sulfoxide
IUPACmethylsulfinylmethane
SMILESCS(C)=O
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChIKeyIAZDPXIOMUYVGZ-UHFFFAOYSA-N
MW78.14 g/mol
LogP-0.01
Rot. Bonds

About methylsulfinylmethane

methylsulfinylmethane (PubChem CID 679) has the molecular formula C2H6OS and a molecular weight of 78.14 g/mol. Its IUPAC name is methylsulfinylmethane.

Molecular Properties

Compound Namemethylsulfinylmethane
PubChem CID679
Molecular FormulaC2H6OS
Molecular Weight78.14 g/mol
Exact Mass78.01
IUPAC Namemethylsulfinylmethane
SMILESCS(C)=O
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChIKeyIAZDPXIOMUYVGZ-UHFFFAOYSA-N
XLogP-0.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Di((2H3)methyl) sulphoxide
CID 75151
Trimethylsulfoxonium
CID 74499
Methylsulfinylmethanide
CID 3763251
Methane, sulfinylbis-, ion(1-), sodium
CID 10154010
Hydron;methylsulfinylmethane
CID 20151975
Methylsulfinylmethane;molecular hydrogen
CID 20504873
Potassium dimsyl
CID 10877089
Lithium dimsyl
CID 10887822
DMSO HCl
CID 12206146
Deuteromethyl sulfoxide
CID 20719893
Dimethylsulfoxonium
CID 22345572
CID 85666090
CID 85666090

Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane?
The IUPAC name of methylsulfinylmethane (CID 679) is methylsulfinylmethane.
What is the SMILES notation for methylsulfinylmethane?
The canonical SMILES for methylsulfinylmethane is CS(C)=O.
What is the InChIKey of methylsulfinylmethane?
The InChIKey is IAZDPXIOMUYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS/c1-4(2)3/h1-2H3.
What are the key properties of methylsulfinylmethane?
methylsulfinylmethane has a molecular weight of 78.14 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane is sourced from PubChem (CID 679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).