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Home > Nitro Compounds > 86814-28-0
86814-28-0 | 1,2,4-Thiadiazole, 3,5-bis(4-nitrophenyl)-
CAS No: 86814-28-0 Catalog No: AG004RS8 MDL No:
Product Description
Catalog Number:
AG004RS8
Chemical Name:
1,2,4-Thiadiazole, 3,5-bis(4-nitrophenyl)-
CAS Number:
86814-28-0
Molecular Formula:
C14H8N4O4S
Molecular Weight:
328.3027
IUPAC Name:
3,5-bis(4-nitrophenyl)-1,2,4-thiadiazole
InChI:
InChI=1S/C14H8N4O4S/c19-17(20)11-5-1-9(2-6-11)13-15-14(23-16-13)10-3-7-12(8-4-10)18(21)22/h1-8H
InChI Key:
VCXUCYVZJDYDCE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1snc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.027g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.302g/mol
Monoisotopic Mass:
328.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Optimizing thiadiazole analogues of resveratrol versus three chemopreventive targets. | Bioorganic & medicinal chemistry 20120101 |
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