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Home > Imidazoles > 1615-41-4
1615-41-4 | 1H-Imidazole,1-methyl-2-(methylthio)-5-nitro-
CAS No: 1615-41-4 Catalog No: AG007XDB MDL No:MFCD25959712
Product Description
Catalog Number:
AG007XDB
Chemical Name:
1H-Imidazole,1-methyl-2-(methylthio)-5-nitro-
CAS Number:
1615-41-4
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
MDL Number:
MFCD25959712
IUPAC Name:
1-methyl-2-methylsulfanyl-5-nitroimidazole
InChI:
InChI=1S/C5H7N3O2S/c1-7-4(8(9)10)3-6-5(7)11-2/h3H,1-2H3
InChI Key:
ZQLIPHIEXOWXGX-UHFFFAOYSA-N
SMILES:
CSc1ncc(n1C)[N+](=O)[O-]
Properties
Complexity:
160
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.19g/mol
Monoisotopic Mass:
173.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| In-vitro studies of two 5-nitroimidazole derivatives. | The Journal of antimicrobial chemotherapy 19970701 |
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