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1105189-93-2 | 7-(4-METHOXYPHENYL)-6,7-DIHYDRO-5H-IMIDAZO[2,1-C][1,2,4]TRIAZOLE-3-THIOL
CAS No: 1105189-93-2 Catalog No: AG01AQI2 MDL No:MFCD16652899
Product Description
Catalog Number:
AG01AQI2
Chemical Name:
7-(4-METHOXYPHENYL)-6,7-DIHYDRO-5H-IMIDAZO[2,1-C][1,2,4]TRIAZOLE-3-THIOL
CAS Number:
1105189-93-2
MDL Number:
MFCD16652899
IUPAC Name:
7-(4-methoxyphenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione
InChI:
InChI=1S/C11H12N4OS/c1-16-9-4-2-8(3-5-9)14-6-7-15-10(14)12-13-11(15)17/h2-5H,6-7H2,1H3,(H,13,17)
InChI Key:
BEQIAFAWTYLGGU-UHFFFAOYSA-N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.304g/mol
Monoisotopic Mass:
248.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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