4-(disulfanyl)-2,3-dihydropyridine

C₅H₇NS₂ — CID 163875263

About 4-(disulfanyl)-2,3-dihydropyridine

4-(disulfanyl)-2,3-dihydropyridine (PubChem CID 163875263) has the molecular formula C₅H₇NS₂ and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-(disulfanyl)-2,3-dihydropyridine.

Molecular Properties

• Compound Name: 4-(disulfanyl)-2,3-dihydropyridine
• PubChem CID: 163875263
• Molecular Formula: C₅H₇NS₂
• Molecular Weight: 145.25 g/mol
• Exact Mass: 145.00
• IUPAC Name: 4-(disulfanyl)-2,3-dihydropyridine
• SMILES: SSC1=CC=NCC1
• InChI: InChI=1S/C5H7NS2/c7-8-5-1-3-6-4-2-5/h1,3,7H,2,4H2
• InChIKey: POHRTFYYCFIOPS-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 12.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	145.25
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(disulfanyl)-2,3-dihydropyridine?

The IUPAC name of 4-(disulfanyl)-2,3-dihydropyridine (CID 163875263) is 4-(disulfanyl)-2,3-dihydropyridine.

What is the SMILES notation for 4-(disulfanyl)-2,3-dihydropyridine?

The canonical SMILES for 4-(disulfanyl)-2,3-dihydropyridine is SSC1=CC=NCC1.

What is the InChIKey of 4-(disulfanyl)-2,3-dihydropyridine?

The InChIKey is POHRTFYYCFIOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c7-8-5-1-3-6-4-2-5/h1,3,7H,2,4H2.

What are the key properties of 4-(disulfanyl)-2,3-dihydropyridine?

4-(disulfanyl)-2,3-dihydropyridine has a molecular weight of 145.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(disulfanyl)-2,3-dihydropyridine is sourced from PubChem (CID 163875263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163875263 — identifiers, structure, computed properties (public domain)

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