2H-imidazo[1,5-a]pyridine-3-thione

C7H6N2S — CID 737312

IUPAC2H-imidazo[1,5-a]pyridine-3-thione
SMILESS=c1[nH]cc2ccccn12
InChIInChI=1S/C7H6N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-5H,(H,8,10)
InChIKeyIPOYUTJDAMAUNH-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.00
Rot. Bonds

About 2H-imidazo[1,5-a]pyridine-3-thione

2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 737312) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID737312
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2H-imidazo[1,5-a]pyridine-3-thione
SMILESS=c1[nH]cc2ccccn12
InChIInChI=1S/C7H6N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-5H,(H,8,10)
InChIKeyIPOYUTJDAMAUNH-UHFFFAOYSA-N
XLogP2.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
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 2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 2H-imidazo[1,5-a]pyridine-3-thione (CID 737312) is 2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 2H-imidazo[1,5-a]pyridine-3-thione is S=c1[nH]cc2ccccn12.
What is the InChIKey of 2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is IPOYUTJDAMAUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-5H,(H,8,10).
What are the key properties of 2H-imidazo[1,5-a]pyridine-3-thione?
2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 150.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 737312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).