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

C10H10N2S — CID 24967146

IUPAC1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESC=CCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C10H10N2S/c1-2-5-8-9-6-3-4-7-12(9)10(13)11-8/h2-4,6-7H,1,5H2,(H,11,13)
InChIKeyFXMHHXVZJFZXLQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.73
Rot. Bonds2

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

1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24967146) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24967146
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESC=CCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C10H10N2S/c1-2-5-8-9-6-3-4-7-12(9)10(13)11-8/h2-4,6-7H,1,5H2,(H,11,13)
InChIKeyFXMHHXVZJFZXLQ-UHFFFAOYSA-N
XLogP2.73
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione (CID 24967146) is 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione is C=CCc1[nH]c(=S)n2ccccc12.
What is the InChIKey of 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is FXMHHXVZJFZXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-5-8-9-6-3-4-7-12(9)10(13)11-8/h2-4,6-7H,1,5H2,(H,11,13).
What are the key properties of 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione?
1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 190.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24967146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).