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Home > Imidazoles > 87695-77-0
87695-77-0 | 1H-Imidazole,5-(ethylthio)-1-methyl-4-nitro-
CAS No: 87695-77-0 Catalog No: AG008DU5 MDL No:
Product Description
Catalog Number:
AG008DU5
Chemical Name:
1H-Imidazole,5-(ethylthio)-1-methyl-4-nitro-
CAS Number:
87695-77-0
Molecular Formula:
C6H9N3O2S
Molecular Weight:
187.2196
IUPAC Name:
5-ethylsulfanyl-1-methyl-4-nitroimidazole
InChI:
InChI=1S/C6H9N3O2S/c1-3-12-6-5(9(10)11)7-4-8(6)2/h4H,3H2,1-2H3
InChI Key:
ANRQVBGDMRWUGJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1SCC)C
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:
1.4
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