1-(disulfanyl)imidazo[4,5-c]pyridine

C6H5N3S2 — CID 91116326

IUPAC1-(disulfanyl)imidazo[4,5-c]pyridine
SMILESSSn1cnc2cnccc21
InChIInChI=1S/C6H5N3S2/c10-11-9-4-8-5-3-7-2-1-6(5)9/h1-4,10H
InChIKeyGBMPJEGDNNWUQP-UHFFFAOYSA-N
MW183.26 g/mol
LogP1.77
Rot. Bonds1

About 1-(disulfanyl)imidazo[4,5-c]pyridine

1-(disulfanyl)imidazo[4,5-c]pyridine (PubChem CID 91116326) has the molecular formula C6H5N3S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 1-(disulfanyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(disulfanyl)imidazo[4,5-c]pyridine
PubChem CID91116326
Molecular FormulaC6H5N3S2
Molecular Weight183.26 g/mol
Exact Mass182.99
IUPAC Name1-(disulfanyl)imidazo[4,5-c]pyridine
SMILESSSn1cnc2cnccc21
InChIInChI=1S/C6H5N3S2/c10-11-9-4-8-5-3-7-2-1-6(5)9/h1-4,10H
InChIKeyGBMPJEGDNNWUQP-UHFFFAOYSA-N
XLogP1.77
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(disulfanyl)imidazo[4,5-c]pyridine (CID 91116326) is 1-(disulfanyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(disulfanyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(disulfanyl)imidazo[4,5-c]pyridine is SSn1cnc2cnccc21.
What is the InChIKey of 1-(disulfanyl)imidazo[4,5-c]pyridine?
The InChIKey is GBMPJEGDNNWUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2/c10-11-9-4-8-5-3-7-2-1-6(5)9/h1-4,10H.
What are the key properties of 1-(disulfanyl)imidazo[4,5-c]pyridine?
1-(disulfanyl)imidazo[4,5-c]pyridine has a molecular weight of 183.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 91116326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).