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Home > Nitro Compounds > 89266-95-5
89266-95-5 | Thiazolo[5,4-b]pyridine-2(1H)-thione, 1-(3-methyl-5-nitro-2-pyridinyl)-
CAS No: 89266-95-5 Catalog No: AG0041FZ MDL No:
Product Description
Catalog Number:
AG0041FZ
Chemical Name:
Thiazolo[5,4-b]pyridine-2(1H)-thione, 1-(3-methyl-5-nitro-2-pyridinyl)-
CAS Number:
89266-95-5
Molecular Formula:
C12H8N4O2S2
Molecular Weight:
304.3475
IUPAC Name:
1-(3-methyl-5-nitropyridin-2-yl)-[1,3]thiazolo[5,4-b]pyridine-2-thione
InChI:
InChI=1S/C12H8N4O2S2/c1-7-5-8(16(17)18)6-14-10(7)15-9-3-2-4-13-11(9)20-12(15)19/h2-6H,1H3
InChI Key:
QLJPZTMDZFDFMI-UHFFFAOYSA-N
SMILES:
Cc1cc(cnc1n1c(=S)sc2c1cccn2)[N+](=O)[O-]
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.009g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.342g/mol
Monoisotopic Mass:
304.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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