2,3-Dihydropyridine-5-thiol

C₅H₇NS — CID 88967075

About 2,3-Dihydropyridine-5-thiol

2,3-Dihydropyridine-5-thiol (PubChem CID 88967075) has the molecular formula C₅H₇NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2,3-dihydropyridine-5-thiol.

Molecular Properties

• Compound Name: 2,3-Dihydropyridine-5-thiol
• PubChem CID: 88967075
• Molecular Formula: C₅H₇NS
• Molecular Weight: 113.18 g/mol
• Exact Mass: 113.03
• IUPAC Name: 2,3-dihydropyridine-5-thiol
• SMILES: SC1=CCCN=C1
• InChI: InChI=1S/C5H7NS/c7-5-2-1-3-6-4-5/h2,4,7H,1,3H2
• InChIKey: LGAZATCBLABIGC-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 12.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	113.18
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-Dihydropyridine-5-thiol?

The IUPAC name of 2,3-Dihydropyridine-5-thiol (CID 88967075) is 2,3-dihydropyridine-5-thiol.

What is the SMILES notation for 2,3-Dihydropyridine-5-thiol?

The canonical SMILES for 2,3-Dihydropyridine-5-thiol is SC1=CCCN=C1.

What is the InChIKey of 2,3-Dihydropyridine-5-thiol?

The InChIKey is LGAZATCBLABIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c7-5-2-1-3-6-4-5/h2,4,7H,1,3H2.

What are the key properties of 2,3-Dihydropyridine-5-thiol?

2,3-Dihydropyridine-5-thiol has a molecular weight of 113.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-Dihydropyridine-5-thiol is sourced from PubChem (CID 88967075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 88967075 — identifiers, structure, computed properties (public domain)

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