Iodomethane;methanesulfonyl chloride

C₂H₆ClIO₂S — CID 123541461

About Iodomethane;methanesulfonyl chloride

Iodomethane;methanesulfonyl chloride (PubChem CID 123541461) has the molecular formula C₂H₆ClIO₂S and a molecular weight of 256.49 g/mol. Its IUPAC name is iodomethane;methanesulfonyl chloride.

Molecular Properties

• Compound Name: Iodomethane;methanesulfonyl chloride
• PubChem CID: 123541461
• Molecular Formula: C₂H₆ClIO₂S
• Molecular Weight: 256.49 g/mol
• Exact Mass: 255.88
• IUPAC Name: iodomethane;methanesulfonyl chloride
• SMILES: CI.CS(=O)(=O)Cl
• InChI: InChI=1S/CH3ClO2S.CH3I/c1-5(2,3)4;1-2/h1H3;1H3
• InChIKey: FIIXWHCZPBXFDW-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.49
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Iodomethane;methanesulfonyl chloride?

The IUPAC name of Iodomethane;methanesulfonyl chloride (CID 123541461) is iodomethane;methanesulfonyl chloride.

What is the SMILES notation for Iodomethane;methanesulfonyl chloride?

The canonical SMILES for Iodomethane;methanesulfonyl chloride is CI.CS(=O)(=O)Cl.

What is the InChIKey of Iodomethane;methanesulfonyl chloride?

The InChIKey is FIIXWHCZPBXFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClO2S.CH3I/c1-5(2,3)4;1-2/h1H3;1H3.

What are the key properties of Iodomethane;methanesulfonyl chloride?

Iodomethane;methanesulfonyl chloride has a molecular weight of 256.49 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Iodomethane;methanesulfonyl chloride is sourced from PubChem (CID 123541461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123541461 — identifiers, structure, computed properties (public domain)

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