6-(methyldisulfanyl)-2,3-dihydropyridine

C6H9NS2 — CID 123574659

IUPAC6-(methyldisulfanyl)-2,3-dihydropyridine
SMILESCSSC1=NCCC=C1
InChIInChI=1S/C6H9NS2/c1-8-9-6-4-2-3-5-7-6/h2,4H,3,5H2,1H3
InChIKeyAFTULLNFAOQWEL-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.36
Rot. Bonds1

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

6-(methyldisulfanyl)-2,3-dihydropyridine (PubChem CID 123574659) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 6-(methyldisulfanyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(methyldisulfanyl)-2,3-dihydropyridine
PubChem CID123574659
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name6-(methyldisulfanyl)-2,3-dihydropyridine
SMILESCSSC1=NCCC=C1
InChIInChI=1S/C6H9NS2/c1-8-9-6-4-2-3-5-7-6/h2,4H,3,5H2,1H3
InChIKeyAFTULLNFAOQWEL-UHFFFAOYSA-N
XLogP2.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methyldisulfanyl)-2,3-dihydropyridine?
The IUPAC name of 6-(methyldisulfanyl)-2,3-dihydropyridine (CID 123574659) is 6-(methyldisulfanyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(methyldisulfanyl)-2,3-dihydropyridine?
The canonical SMILES for 6-(methyldisulfanyl)-2,3-dihydropyridine is CSSC1=NCCC=C1.
What is the InChIKey of 6-(methyldisulfanyl)-2,3-dihydropyridine?
The InChIKey is AFTULLNFAOQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-8-9-6-4-2-3-5-7-6/h2,4H,3,5H2,1H3.
What are the key properties of 6-(methyldisulfanyl)-2,3-dihydropyridine?
6-(methyldisulfanyl)-2,3-dihydropyridine has a molecular weight of 159.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methyldisulfanyl)-2,3-dihydropyridine is sourced from PubChem (CID 123574659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).