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Home > Imidazoles > 113296-57-4
113296-57-4 | 1H-Imidazole, 2-methyl-1-[(methylthio)methyl]-5-nitro-
CAS No: 113296-57-4 Catalog No: AG007SMN MDL No:
Product Description
Catalog Number:
AG007SMN
Chemical Name:
1H-Imidazole, 2-methyl-1-[(methylthio)methyl]-5-nitro-
CAS Number:
113296-57-4
Molecular Formula:
C6H9N3O2S
Molecular Weight:
187.2196
IUPAC Name:
2-methyl-1-(methylsulfanylmethyl)-5-nitroimidazole
InChI:
InChI=1S/C6H9N3O2S/c1-5-7-3-6(9(10)11)8(5)4-12-2/h3H,4H2,1-2H3
InChI Key:
ISHKNZUYTCJTNR-UHFFFAOYSA-N
SMILES:
CSCn1c(C)ncc1[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.217g/mol
Monoisotopic Mass:
187.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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