methylsulfonylsulfanylmethane

C2H6O2S2 — CID 18064

IUPACmethylsulfonylsulfanylmethane
SMILESCSS(C)(=O)=O
InChIInChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKeyXYONNSVDNIRXKZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.31
Rot. Bonds1

About methylsulfonylsulfanylmethane

methylsulfonylsulfanylmethane (PubChem CID 18064) has the molecular formula C2H6O2S2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methylsulfonylsulfanylmethane.

Molecular Properties

Compound Namemethylsulfonylsulfanylmethane
PubChem CID18064
Molecular FormulaC2H6O2S2
Molecular Weight126.20 g/mol
Exact Mass125.98
IUPAC Namemethylsulfonylsulfanylmethane
SMILESCSS(C)(=O)=O
InChIInChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKeyXYONNSVDNIRXKZ-UHFFFAOYSA-N
XLogP0.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methylsulfonylsulfanylmethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylsulfonylsulfanylmethane?
The IUPAC name of methylsulfonylsulfanylmethane (CID 18064) is methylsulfonylsulfanylmethane.
What is the SMILES notation for methylsulfonylsulfanylmethane?
The canonical SMILES for methylsulfonylsulfanylmethane is CSS(C)(=O)=O.
What is the InChIKey of methylsulfonylsulfanylmethane?
The InChIKey is XYONNSVDNIRXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3.
What are the key properties of methylsulfonylsulfanylmethane?
methylsulfonylsulfanylmethane has a molecular weight of 126.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylsulfanylmethane is sourced from PubChem (CID 18064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).