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Home > Imidazoles > 260405-21-8
260405-21-8 | 2H-Imidazole-2-thione, 1,3-dihydro-1,3-dimethyl-4-nitro-
CAS No: 260405-21-8 Catalog No: AG002RH1 MDL No:
Product Description
Catalog Number:
AG002RH1
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1,3-dimethyl-4-nitro-
CAS Number:
260405-21-8
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
IUPAC Name:
1,3-dimethyl-4-nitroimidazole-2-thione
InChI:
InChI=1S/C5H7N3O2S/c1-6-3-4(8(9)10)7(2)5(6)11/h3H,1-2H3
InChI Key:
UUFIUIOTSYJODH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(=S)n1C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.19g/mol
Monoisotopic Mass:
173.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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