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Home > Imidazoles > 28795-33-7
28795-33-7 | 1H-Imidazole, 1-[2-(ethylthio)ethyl]-2-methyl-5-nitro-
CAS No: 28795-33-7 Catalog No: AG002WIX MDL No:
Product Description
Catalog Number:
AG002WIX
Chemical Name:
1H-Imidazole, 1-[2-(ethylthio)ethyl]-2-methyl-5-nitro-
CAS Number:
28795-33-7
Molecular Formula:
C8H13N3O2S
Molecular Weight:
215.2727
IUPAC Name:
1-(2-ethylsulfanylethyl)-2-methyl-5-nitroimidazole
InChI:
InChI=1S/C8H13N3O2S/c1-3-14-5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
InChI Key:
MFRJPLQSIRTHSZ-UHFFFAOYSA-N
SMILES:
CCSCCn1c(C)ncc1[N+](=O)[O-]
EC Number:
249-226-3
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.271g/mol
Monoisotopic Mass:
215.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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