Dimethyl sulfoxide

C₂H₆OS — CID 679

About Dimethyl sulfoxide

Dimethyl sulfoxide (PubChem CID 679) has the molecular formula C₂H₆OS and a molecular weight of 78.14 g/mol. Its IUPAC name is methylsulfinylmethane.

Molecular Properties

• Compound Name: Dimethyl sulfoxide
• PubChem CID: 679
• Molecular Formula: C₂H₆OS
• Molecular Weight: 78.14 g/mol
• Exact Mass: 78.01
• IUPAC Name: methylsulfinylmethane
• SMILES: CS(C)=O
• InChI: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
• InChIKey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
• XLogP: -0.01
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	78.14
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Dimethyl sulfoxide?

The IUPAC name of Dimethyl sulfoxide (CID 679) is methylsulfinylmethane.

What is the SMILES notation for Dimethyl sulfoxide?

The canonical SMILES for Dimethyl sulfoxide is CS(C)=O.

What is the InChIKey of Dimethyl sulfoxide?

The InChIKey is IAZDPXIOMUYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS/c1-4(2)3/h1-2H3.

What are the key properties of Dimethyl sulfoxide?

Dimethyl sulfoxide has a molecular weight of 78.14 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethyl sulfoxide is sourced from PubChem (CID 679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 679 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 906 — approved-drug record (CC BY-SA 4.0)

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