methylsulfonylsulfinylmethane

C2H6O3S2 — CID 12721612

IUPACmethylsulfonylsulfinylmethane
SMILESCS(=O)S(C)(=O)=O
InChIInChI=1S/C2H6O3S2/c1-6(3)7(2,4)5/h1-2H3
InChIKeyYNHQLXOBQFKKKQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.68
Rot. Bonds1

About methylsulfonylsulfinylmethane

methylsulfonylsulfinylmethane (PubChem CID 12721612) has the molecular formula C2H6O3S2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methylsulfonylsulfinylmethane.

Molecular Properties

Compound Namemethylsulfonylsulfinylmethane
PubChem CID12721612
Molecular FormulaC2H6O3S2
Molecular Weight142.20 g/mol
Exact Mass141.98
IUPAC Namemethylsulfonylsulfinylmethane
SMILESCS(=O)S(C)(=O)=O
InChIInChI=1S/C2H6O3S2/c1-6(3)7(2,4)5/h1-2H3
InChIKeyYNHQLXOBQFKKKQ-UHFFFAOYSA-N
XLogP-0.68
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylsulfinylmethane?
The IUPAC name of methylsulfonylsulfinylmethane (CID 12721612) is methylsulfonylsulfinylmethane.
What is the SMILES notation for methylsulfonylsulfinylmethane?
The canonical SMILES for methylsulfonylsulfinylmethane is CS(=O)S(C)(=O)=O.
What is the InChIKey of methylsulfonylsulfinylmethane?
The InChIKey is YNHQLXOBQFKKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S2/c1-6(3)7(2,4)5/h1-2H3.
What are the key properties of methylsulfonylsulfinylmethane?
methylsulfonylsulfinylmethane has a molecular weight of 142.20 g/mol, XLogP of -0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylsulfinylmethane is sourced from PubChem (CID 12721612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).