6-(methyldisulfanyl)-3,4-dihydropyridine

C6H9NS2 — CID 89263268

IUPAC6-(methyldisulfanyl)-3,4-dihydropyridine
SMILESCSSC1=CCCC=N1
InChIInChI=1S/C6H9NS2/c1-8-9-6-4-2-3-5-7-6/h4-5H,2-3H2,1H3
InChIKeyXVLUWYOEAAMZGP-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.70
Rot. Bonds2

About 6-(methyldisulfanyl)-3,4-dihydropyridine

6-(methyldisulfanyl)-3,4-dihydropyridine (PubChem CID 89263268) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 6-(methyldisulfanyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(methyldisulfanyl)-3,4-dihydropyridine
PubChem CID89263268
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name6-(methyldisulfanyl)-3,4-dihydropyridine
SMILESCSSC1=CCCC=N1
InChIInChI=1S/C6H9NS2/c1-8-9-6-4-2-3-5-7-6/h4-5H,2-3H2,1H3
InChIKeyXVLUWYOEAAMZGP-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(methyldisulfanyl)-3,4-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methyldisulfanyl)-3,4-dihydropyridine?
The IUPAC name of 6-(methyldisulfanyl)-3,4-dihydropyridine (CID 89263268) is 6-(methyldisulfanyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(methyldisulfanyl)-3,4-dihydropyridine?
The canonical SMILES for 6-(methyldisulfanyl)-3,4-dihydropyridine is CSSC1=CCCC=N1.
What is the InChIKey of 6-(methyldisulfanyl)-3,4-dihydropyridine?
The InChIKey is XVLUWYOEAAMZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-8-9-6-4-2-3-5-7-6/h4-5H,2-3H2,1H3.
What are the key properties of 6-(methyldisulfanyl)-3,4-dihydropyridine?
6-(methyldisulfanyl)-3,4-dihydropyridine has a molecular weight of 159.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methyldisulfanyl)-3,4-dihydropyridine is sourced from PubChem (CID 89263268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).