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Home > Imidazoles > 177653-76-8
177653-76-8 | 4H-1,2,4-Triazole, 4-methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
CAS No: 177653-76-8 Catalog No: AG0025FA MDL No:
Product Description
Catalog Number:
AG0025FA
Chemical Name:
4H-1,2,4-Triazole, 4-methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
CAS Number:
177653-76-8
Molecular Formula:
C7H8N6O2S
Molecular Weight:
240.2424
IUPAC Name:
4-methyl-3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazole
InChI:
InChI=1S/C7H8N6O2S/c1-11-3-8-5(13(14)15)6(11)16-7-10-9-4-12(7)2/h3-4H,1-2H3
InChI Key:
NMBDIMPYACLUDE-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1Sc1nncn1C)[N+](=O)[O-]
NSC Number:
631156
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.241g/mol
Monoisotopic Mass:
240.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Comparison of the effects of azathioprine and its novel non-mercaptopurine analog on antibody response in rabbits. | Polish journal of pharmacology 20030101 |
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