methanesulfonyl chloride

C2H6Cl2O4S2 — CID 91275292

IUPACmethanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)Cl
InChIInChI=1S/2CH3ClO2S/c2*1-5(2,3)4/h2*1H3
InChIKeyCZGQNOBXTKXXAA-UHFFFAOYSA-N
MW229.11 g/mol
LogP0.37
Rot. Bonds

About methanesulfonyl chloride

methanesulfonyl chloride (PubChem CID 91275292) has the molecular formula C2H6Cl2O4S2 and a molecular weight of 229.11 g/mol. Its IUPAC name is methanesulfonyl chloride.

Molecular Properties

Compound Namemethanesulfonyl chloride
PubChem CID91275292
Molecular FormulaC2H6Cl2O4S2
Molecular Weight229.11 g/mol
Exact Mass227.91
IUPAC Namemethanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)Cl
InChIInChI=1S/2CH3ClO2S/c2*1-5(2,3)4/h2*1H3
InChIKeyCZGQNOBXTKXXAA-UHFFFAOYSA-N
XLogP0.37
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride?
The IUPAC name of methanesulfonyl chloride (CID 91275292) is methanesulfonyl chloride.
What is the SMILES notation for methanesulfonyl chloride?
The canonical SMILES for methanesulfonyl chloride is CS(=O)(=O)Cl.CS(=O)(=O)Cl.
What is the InChIKey of methanesulfonyl chloride?
The InChIKey is CZGQNOBXTKXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH3ClO2S/c2*1-5(2,3)4/h2*1H3.
What are the key properties of methanesulfonyl chloride?
methanesulfonyl chloride has a molecular weight of 229.11 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride is sourced from PubChem (CID 91275292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).