6-(propyldisulfanyl)-2,3-dihydropyridine

Name: 6-(propyldisulfanyl)-2,3-dihydropyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₃NS₂ — CID 147582773

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-(propyldisulfanyl)-2,3-dihydropyridine

SMILESCCCSSC1=NCCC=C1

InChIInChI=1S/C8H13NS2/c1-2-7-10-11-8-5-3-4-6-9-8/h3,5H,2,4,6-7H2,1H3

InChIKeyFWTGYFJVOQUPDD-UHFFFAOYSA-N

MW187.33 g/mol

LogP3.14

Rot. Bonds3

About 6-(propyldisulfanyl)-2,3-dihydropyridine

6-(propyldisulfanyl)-2,3-dihydropyridine (PubChem CID 147582773) has the molecular formula C₈H₁₃NS₂ and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-(propyldisulfanyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name	6-(propyldisulfanyl)-2,3-dihydropyridine
PubChem CID	147582773
Molecular Formula	C₈H₁₃NS₂
Molecular Weight	187.33 g/mol
Exact Mass	187.05
IUPAC Name	6-(propyldisulfanyl)-2,3-dihydropyridine
SMILES	CCCSSC1=NCCC=C1
InChI	InChI=1S/C8H13NS2/c1-2-7-10-11-8-5-3-4-6-9-8/h3,5H,2,4,6-7H2,1H3
InChIKey	FWTGYFJVOQUPDD-UHFFFAOYSA-N
XLogP	3.14
TPSA	12.36 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	187.33
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(propyldisulfanyl)-2,3-dihydropyridine?

The IUPAC name of 6-(propyldisulfanyl)-2,3-dihydropyridine (CID 147582773) is 6-(propyldisulfanyl)-2,3-dihydropyridine.

What is the SMILES notation for 6-(propyldisulfanyl)-2,3-dihydropyridine?

The canonical SMILES for 6-(propyldisulfanyl)-2,3-dihydropyridine is CCCSSC1=NCCC=C1.

What is the InChIKey of 6-(propyldisulfanyl)-2,3-dihydropyridine?

The InChIKey is FWTGYFJVOQUPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-2-7-10-11-8-5-3-4-6-9-8/h3,5H,2,4,6-7H2,1H3.

What are the key properties of 6-(propyldisulfanyl)-2,3-dihydropyridine?

6-(propyldisulfanyl)-2,3-dihydropyridine has a molecular weight of 187.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(propyldisulfanyl)-2,3-dihydropyridine is sourced from PubChem (CID 147582773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 147582773 — identifiers, structure, computed properties (public domain)

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