pyrrolo[3,2-b]pyridine-2-thione

C7H4N2S — CID 87705818

IUPACpyrrolo[3,2-b]pyridine-2-thione
SMILESS=C1C=c2ncccc2=N1
InChIInChI=1S/C7H4N2S/c10-7-4-6-5(9-7)2-1-3-8-6/h1-4H
InChIKeyIQPIMAJAQBMJNJ-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.18
Rot. Bonds

About pyrrolo[3,2-b]pyridine-2-thione

pyrrolo[3,2-b]pyridine-2-thione (PubChem CID 87705818) has the molecular formula C7H4N2S and a molecular weight of 148.19 g/mol. Its IUPAC name is pyrrolo[3,2-b]pyridine-2-thione.

Molecular Properties

Compound Namepyrrolo[3,2-b]pyridine-2-thione
PubChem CID87705818
Molecular FormulaC7H4N2S
Molecular Weight148.19 g/mol
Exact Mass148.01
IUPAC Namepyrrolo[3,2-b]pyridine-2-thione
SMILESS=C1C=c2ncccc2=N1
InChIInChI=1S/C7H4N2S/c10-7-4-6-5(9-7)2-1-3-8-6/h1-4H
InChIKeyIQPIMAJAQBMJNJ-UHFFFAOYSA-N
XLogP-0.18
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-b]pyridine-2-thione?
The IUPAC name of pyrrolo[3,2-b]pyridine-2-thione (CID 87705818) is pyrrolo[3,2-b]pyridine-2-thione.
What is the SMILES notation for pyrrolo[3,2-b]pyridine-2-thione?
The canonical SMILES for pyrrolo[3,2-b]pyridine-2-thione is S=C1C=c2ncccc2=N1.
What is the InChIKey of pyrrolo[3,2-b]pyridine-2-thione?
The InChIKey is IQPIMAJAQBMJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2S/c10-7-4-6-5(9-7)2-1-3-8-6/h1-4H.
What are the key properties of pyrrolo[3,2-b]pyridine-2-thione?
pyrrolo[3,2-b]pyridine-2-thione has a molecular weight of 148.19 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-b]pyridine-2-thione is sourced from PubChem (CID 87705818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).