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Home > Nitro Compounds > 800380-60-3
800380-60-3 | Piperazine, 1-[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 800380-60-3 Catalog No: AG0055G7 MDL No:
Product Description
Catalog Number:
AG0055G7
Chemical Name:
Piperazine, 1-[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
800380-60-3
Molecular Formula:
C10H11N5O2S2
Molecular Weight:
297.3566
IUPAC Name:
2-(5-nitrothiophen-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C10H11N5O2S2/c16-15(17)8-2-1-7(18-8)9-12-13-10(19-9)14-5-3-11-4-6-14/h1-2,11H,3-6H2
InChI Key:
XWVDHOJLARQHDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)c1nnc(s1)N1CCNCC1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.351g/mol
Monoisotopic Mass:
297.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of in vitro antimycobacterial activity of some 5-(5-nitro-2-thienyl)-2-(piperazinyl, piperidinyl and morpholinyl)-1,3,4-thiadiazole derivatives. | Bollettino chimico farmaceutico 20031101 |
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