methylsulfonylsulfinylsulfonylmethane

C2H6O5S3 — CID 87273421

IUPACmethylsulfonylsulfinylsulfonylmethane
SMILESCS(=O)(=O)S(=O)S(C)(=O)=O
InChIInChI=1S/C2H6O5S3/c1-9(4,5)8(3)10(2,6)7/h1-2H3
InChIKeyCFSXSKZXYQGHOU-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.35
Rot. Bonds2

About methylsulfonylsulfinylsulfonylmethane

methylsulfonylsulfinylsulfonylmethane (PubChem CID 87273421) has the molecular formula C2H6O5S3 and a molecular weight of 206.27 g/mol. Its IUPAC name is methylsulfonylsulfinylsulfonylmethane.

Molecular Properties

Compound Namemethylsulfonylsulfinylsulfonylmethane
PubChem CID87273421
Molecular FormulaC2H6O5S3
Molecular Weight206.27 g/mol
Exact Mass205.94
IUPAC Namemethylsulfonylsulfinylsulfonylmethane
SMILESCS(=O)(=O)S(=O)S(C)(=O)=O
InChIInChI=1S/C2H6O5S3/c1-9(4,5)8(3)10(2,6)7/h1-2H3
InChIKeyCFSXSKZXYQGHOU-UHFFFAOYSA-N
XLogP-1.35
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylsulfinylsulfonylmethane?
The IUPAC name of methylsulfonylsulfinylsulfonylmethane (CID 87273421) is methylsulfonylsulfinylsulfonylmethane.
What is the SMILES notation for methylsulfonylsulfinylsulfonylmethane?
The canonical SMILES for methylsulfonylsulfinylsulfonylmethane is CS(=O)(=O)S(=O)S(C)(=O)=O.
What is the InChIKey of methylsulfonylsulfinylsulfonylmethane?
The InChIKey is CFSXSKZXYQGHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5S3/c1-9(4,5)8(3)10(2,6)7/h1-2H3.
What are the key properties of methylsulfonylsulfinylsulfonylmethane?
methylsulfonylsulfinylsulfonylmethane has a molecular weight of 206.27 g/mol, XLogP of -1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylsulfinylsulfonylmethane is sourced from PubChem (CID 87273421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).