methylsulfinyl methanesulfinate

C2H6O3S2 — CID 87602525

IUPACmethylsulfinyl methanesulfinate
SMILESCS(=O)OS(C)=O
InChIInChI=1S/C2H6O3S2/c1-6(3)5-7(2)4/h1-2H3
InChIKeyYZVTULRRAQMYTN-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.41
Rot. Bonds2

About methylsulfinyl methanesulfinate

methylsulfinyl methanesulfinate (PubChem CID 87602525) has the molecular formula C2H6O3S2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methylsulfinyl methanesulfinate.

Molecular Properties

Compound Namemethylsulfinyl methanesulfinate
PubChem CID87602525
Molecular FormulaC2H6O3S2
Molecular Weight142.20 g/mol
Exact Mass141.98
IUPAC Namemethylsulfinyl methanesulfinate
SMILESCS(=O)OS(C)=O
InChIInChI=1S/C2H6O3S2/c1-6(3)5-7(2)4/h1-2H3
InChIKeyYZVTULRRAQMYTN-UHFFFAOYSA-N
XLogP-0.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylsulfinyl methanesulfinate?
The IUPAC name of methylsulfinyl methanesulfinate (CID 87602525) is methylsulfinyl methanesulfinate.
What is the SMILES notation for methylsulfinyl methanesulfinate?
The canonical SMILES for methylsulfinyl methanesulfinate is CS(=O)OS(C)=O.
What is the InChIKey of methylsulfinyl methanesulfinate?
The InChIKey is YZVTULRRAQMYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S2/c1-6(3)5-7(2)4/h1-2H3.
What are the key properties of methylsulfinyl methanesulfinate?
methylsulfinyl methanesulfinate has a molecular weight of 142.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinyl methanesulfinate is sourced from PubChem (CID 87602525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).