6-(propyldisulfanyl)-2,3-dihydropyridine

C8H13NS2 — CID 147582773

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 Name6-(propyldisulfanyl)-2,3-dihydropyridine
PubChem CID147582773
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name6-(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
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).