methylsulfanylmethanedithiol

C2H6S3 — CID 529072

About methylsulfanylmethanedithiol

methylsulfanylmethanedithiol (PubChem CID 529072) has the molecular formula C2H6S3 and a molecular weight of 126.27 g/mol. Its IUPAC name is methylsulfanylmethanedithiol.

Molecular Properties

• Compound Name: methylsulfanylmethanedithiol
• PubChem CID: 529072
• Molecular Formula: C2H6S3
• Molecular Weight: 126.27 g/mol
• Exact Mass: 125.96
• IUPAC Name: methylsulfanylmethanedithiol
• SMILES: CSC(S)S
• InChI: InChI=1S/C2H6S3/c1-5-2(3)4/h2-4H,1H3
• InChIKey: WNYJLAZPCLYYRD-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 0.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	126.27
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethanedithiol?

The IUPAC name of methylsulfanylmethanedithiol (CID 529072) is methylsulfanylmethanedithiol.

What is the SMILES notation for methylsulfanylmethanedithiol?

The canonical SMILES for methylsulfanylmethanedithiol is CSC(S)S.

What is the InChIKey of methylsulfanylmethanedithiol?

The InChIKey is WNYJLAZPCLYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S3/c1-5-2(3)4/h2-4H,1H3.

What are the key properties of methylsulfanylmethanedithiol?

methylsulfanylmethanedithiol has a molecular weight of 126.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methylsulfanylmethanedithiol is sourced from PubChem (CID 529072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).