methylsulfinyl methanesulfonate

C2H6O4S2 — CID 21304460

IUPACmethylsulfinyl methanesulfonate
SMILESCS(=O)OS(C)(=O)=O
InChIInChI=1S/C2H6O4S2/c1-7(3)6-8(2,4)5/h1-2H3
InChIKeyDEGRYLFVDFHEQJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.74
Rot. Bonds2

About methylsulfinyl methanesulfonate

methylsulfinyl methanesulfonate (PubChem CID 21304460) has the molecular formula C2H6O4S2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methylsulfinyl methanesulfonate.

Molecular Properties

Compound Namemethylsulfinyl methanesulfonate
PubChem CID21304460
Molecular FormulaC2H6O4S2
Molecular Weight158.20 g/mol
Exact Mass157.97
IUPAC Namemethylsulfinyl methanesulfonate
SMILESCS(=O)OS(C)(=O)=O
InChIInChI=1S/C2H6O4S2/c1-7(3)6-8(2,4)5/h1-2H3
InChIKeyDEGRYLFVDFHEQJ-UHFFFAOYSA-N
XLogP-0.74
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methylsulfinyl methanesulfonate?
The IUPAC name of methylsulfinyl methanesulfonate (CID 21304460) is methylsulfinyl methanesulfonate.
What is the SMILES notation for methylsulfinyl methanesulfonate?
The canonical SMILES for methylsulfinyl methanesulfonate is CS(=O)OS(C)(=O)=O.
What is the InChIKey of methylsulfinyl methanesulfonate?
The InChIKey is DEGRYLFVDFHEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S2/c1-7(3)6-8(2,4)5/h1-2H3.
What are the key properties of methylsulfinyl methanesulfonate?
methylsulfinyl methanesulfonate has a molecular weight of 158.20 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinyl methanesulfonate is sourced from PubChem (CID 21304460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).