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Home > Nitro Compounds > 101291-96-7
101291-96-7 | 2,5-Bis[(4-nitrobenzyl)thio]-1,3,4-thiadiazole
CAS No: 101291-96-7 Catalog No: AG00H9GG MDL No:
Product Description
Catalog Number:
AG00H9GG
Chemical Name:
2,5-Bis[(4-nitrobenzyl)thio]-1,3,4-thiadiazole
CAS Number:
101291-96-7
IUPAC Name:
2,5-bis[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole
InChI:
InChI=1S/C16H12N4O4S3/c21-19(22)13-5-1-11(2-6-13)9-25-15-17-18-16(27-15)26-10-12-3-7-14(8-4-12)20(23)24/h1-8H,9-10H2
InChI Key:
NNHMZAPFFZXOKB-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.002g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.476g/mol
Monoisotopic Mass:
420.002g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and structure-activity relationship of substrate competitive, selective, and in vivo active triazole and thiadiazole inhibitors of the c-Jun N-terminal kinase. | Journal of medicinal chemistry 20090409 |
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