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Home > Nitro Compounds > 89647-34-7
89647-34-7 | 2(1H)-Quinolinethione, 8-nitro-
CAS No: 89647-34-7 Catalog No: AG003VHH MDL No:MFCD28657685
Product Description
Catalog Number:
AG003VHH
Chemical Name:
2(1H)-Quinolinethione, 8-nitro-
CAS Number:
89647-34-7
Molecular Formula:
C9H6N2O2S
Molecular Weight:
206.2211
MDL Number:
MFCD28657685
IUPAC Name:
8-nitro-1H-quinoline-2-thione
InChI:
InChI=1S/C9H6N2O2S/c12-11(13)7-3-1-2-6-4-5-8(14)10-9(6)7/h1-5H,(H,10,14)
InChI Key:
JAAAEXINZBHICU-UHFFFAOYSA-N
SMILES:
S=c1ccc2c([nH]1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.219g/mol
Monoisotopic Mass:
206.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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