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168640-47-9

168640-47-9 | 7-(4-Methylphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazole-3-thiol

CAS No: 168640-47-9 Catalog No: AG01ARWV MDL No:MFCD11986646

Product Description

Catalog Number:
AG01ARWV
Chemical Name:
7-(4-Methylphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazole-3-thiol
CAS Number:
168640-47-9
MDL Number:
MFCD11986646
IUPAC Name:
7-(4-methylphenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione
InChI:
InChI=1S/C11H12N4S/c1-8-2-4-9(5-3-8)14-6-7-15-10(14)12-13-11(15)16/h2-5H,6-7H2,1H3,(H,13,16)
InChI Key:
PAKVPMNPRDMXSE-UHFFFAOYSA-N

Properties

Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.305g/mol
Monoisotopic Mass:
232.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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