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

C8H8N2S — CID 24966796

IUPAC1-methyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C8H8N2S/c1-6-7-4-2-3-5-10(7)8(11)9-6/h2-5H,1H3,(H,9,11)
InChIKeyDSAFMUYLYYLLLU-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.31
Rot. Bonds

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

1-methyl-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24966796) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-methyl-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24966796
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-methyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C8H8N2S/c1-6-7-4-2-3-5-10(7)8(11)9-6/h2-5H,1H3,(H,9,11)
InChIKeyDSAFMUYLYYLLLU-UHFFFAOYSA-N
XLogP2.31
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.31
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 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione (CID 24966796) is 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione is Cc1[nH]c(=S)n2ccccc12.
What is the InChIKey of 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is DSAFMUYLYYLLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-6-7-4-2-3-5-10(7)8(11)9-6/h2-5H,1H3,(H,9,11).
What are the key properties of 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione?
1-methyl-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 164.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24966796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).