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

C9H12N2S — CID 142311996

IUPACethane;2H-imidazo[1,5-a]pyridine-3-thione
SMILESCC.S=c1[nH]cc2ccccn12
InChIInChI=1S/C7H6N2S.C2H6/c10-7-8-5-6-3-1-2-4-9(6)7;1-2/h1-5H,(H,8,10);1-2H3
InChIKeyRSXGXLOUBVIZMY-UHFFFAOYSA-N
MW180.28 g/mol
LogP3.02
Rot. Bonds

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

ethane;2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 142311996) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is ethane;2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Nameethane;2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID142311996
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Nameethane;2H-imidazo[1,5-a]pyridine-3-thione
SMILESCC.S=c1[nH]cc2ccccn12
InChIInChI=1S/C7H6N2S.C2H6/c10-7-8-5-6-3-1-2-4-9(6)7;1-2/h1-5H,(H,8,10);1-2H3
InChIKeyRSXGXLOUBVIZMY-UHFFFAOYSA-N
XLogP3.02
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 53.02
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 ethane;2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of ethane;2H-imidazo[1,5-a]pyridine-3-thione (CID 142311996) is ethane;2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for ethane;2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for ethane;2H-imidazo[1,5-a]pyridine-3-thione is CC.S=c1[nH]cc2ccccn12.
What is the InChIKey of ethane;2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is RSXGXLOUBVIZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S.C2H6/c10-7-8-5-6-3-1-2-4-9(6)7;1-2/h1-5H,(H,8,10);1-2H3.
What are the key properties of ethane;2H-imidazo[1,5-a]pyridine-3-thione?
ethane;2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 180.28 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 142311996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).