7-(4-methylphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazole-3-thiol

HCID 33677753

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Basic information

CAS: 168640-47-9
Standard SMILES: Cc1ccc(N2CCn3c2n[nH]c3=S)cc1
InChIKey: PAKVPMNPRDMXSE-UHFFFAOYSA-N
Molecular formula: C11H12N4S
Average molar mass: 232.31 g/mol
Monoisotopic mass: 232.07826757

Names & identifiers

Preferred name: 7-(4-methylphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazole-3-thiol
IUPAC: 7-(4-methylphenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione

Names & synonyms

168640-47-97-(4-methylphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazole-3-thiol7-(p-tolyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazole-3-thiol7-(4-methylphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole-3-thiol7-(4-methylphenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thioneDTXSID201136591AKOS005207440CCG-309946CS-0447807EN300-239493F2135-09447-(p-tolyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione

Show more names

2,5,6,7-Tetrahydro-7-(4-methylphenyl)-3H-imidazo[2,1-c]-1,2,4-triazole-3-thione7-(4-Methylphenyl)-2,5,6,7-tetrahydro-3H-imidazo[2,1-c][1,2,4]triazole-3-thione

Database identifiers

CAS: 168640-47-9
PubChem CID: 33677753
DTXSID: DTXSID201136591

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 63 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 333

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