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Home > Imidazoles > 207236-20-2
207236-20-2 | 1,3,4-Thiadiazole, 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-5-(propylthio)-
CAS No: 207236-20-2 Catalog No: AG002IWT MDL No:
Product Description
Catalog Number:
AG002IWT
Chemical Name:
1,3,4-Thiadiazole, 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-5-(propylthio)-
CAS Number:
207236-20-2
Molecular Formula:
C9H11N5O2S2
Molecular Weight:
285.3459
IUPAC Name:
2-(1-methyl-5-nitroimidazol-2-yl)-5-propylsulfanyl-1,3,4-thiadiazole
InChI:
InChI=1S/C9H11N5O2S2/c1-3-4-17-9-12-11-8(18-9)7-10-5-6(13(7)2)14(15)16/h5H,3-4H2,1-2H3
InChI Key:
NLFOFJZALCUYSX-UHFFFAOYSA-N
SMILES:
CCCSc1nnc(s1)c1ncc(n1C)[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.34g/mol
Monoisotopic Mass:
285.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Antituberculosis agents X. Synthesis and evaluation of in vitro antituberculosis activity of 2-(5-nitro-2-furyl)- and 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole derivatives. | Archives of pharmacal research 20040501 |
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