6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol

C₁₀H₈N₂S₂ — CID 152516981

About 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol

6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol (PubChem CID 152516981) has the molecular formula C₁₀H₈N₂S₂ and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol.

Molecular Properties

• Compound Name: 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol
• PubChem CID: 152516981
• Molecular Formula: C₁₀H₈N₂S₂
• Molecular Weight: 220.32 g/mol
• Exact Mass: 220.01
• IUPAC Name: 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol
• SMILES: Sc1ccc(-c2ccc(S)cn2)nc1
• InChI: InChI=1S/C10H8N2S2/c13-7-1-3-9(11-5-7)10-4-2-8(14)6-12-10/h1-6,13-14H
• InChIKey: YGSNVUFYHORGQX-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 25.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.32
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?

The IUPAC name of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol (CID 152516981) is 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol.

What is the SMILES notation for 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?

The canonical SMILES for 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol is Sc1ccc(-c2ccc(S)cn2)nc1.

What is the InChIKey of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?

The InChIKey is YGSNVUFYHORGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c13-7-1-3-9(11-5-7)10-4-2-8(14)6-12-10/h1-6,13-14H.

What are the key properties of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?

6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol has a molecular weight of 220.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol is sourced from PubChem (CID 152516981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152516981 — identifiers, structure, computed properties (public domain)

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