methylsulfinyl(methylsulfonyl)methane

C3H8O3S2 — CID 21411153

IUPACmethylsulfinyl(methylsulfonyl)methane
SMILESCS(=O)CS(C)(=O)=O
InChIInChI=1S/C3H8O3S2/c1-7(4)3-8(2,5)6/h3H2,1-2H3
InChIKeyIVSYTFZCCMDVBE-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.63
Rot. Bonds2

About methylsulfinyl(methylsulfonyl)methane

methylsulfinyl(methylsulfonyl)methane (PubChem CID 21411153) has the molecular formula C3H8O3S2 and a molecular weight of 156.23 g/mol. Its IUPAC name is methylsulfinyl(methylsulfonyl)methane.

Molecular Properties

Compound Namemethylsulfinyl(methylsulfonyl)methane
PubChem CID21411153
Molecular FormulaC3H8O3S2
Molecular Weight156.23 g/mol
Exact Mass155.99
IUPAC Namemethylsulfinyl(methylsulfonyl)methane
SMILESCS(=O)CS(C)(=O)=O
InChIInChI=1S/C3H8O3S2/c1-7(4)3-8(2,5)6/h3H2,1-2H3
InChIKeyIVSYTFZCCMDVBE-UHFFFAOYSA-N
XLogP-0.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylsulfinyl(methylsulfonyl)methane?
The IUPAC name of methylsulfinyl(methylsulfonyl)methane (CID 21411153) is methylsulfinyl(methylsulfonyl)methane.
What is the SMILES notation for methylsulfinyl(methylsulfonyl)methane?
The canonical SMILES for methylsulfinyl(methylsulfonyl)methane is CS(=O)CS(C)(=O)=O.
What is the InChIKey of methylsulfinyl(methylsulfonyl)methane?
The InChIKey is IVSYTFZCCMDVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S2/c1-7(4)3-8(2,5)6/h3H2,1-2H3.
What are the key properties of methylsulfinyl(methylsulfonyl)methane?
methylsulfinyl(methylsulfonyl)methane has a molecular weight of 156.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinyl(methylsulfonyl)methane is sourced from PubChem (CID 21411153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).