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13230-19-8 | 1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitroiMidazole
CAS No: 13230-19-8 Catalog No: AG009EBY MDL No:
Product Description
Catalog Number:
AG009EBY
Chemical Name:
1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitroiMidazole
CAS Number:
13230-19-8
IUPAC Name:
1-(2-ethylsulfanylethyl)-2-methyl-4-nitroimidazole
InChI:
InChI=1S/C8H13N3O2S/c1-3-14-5-4-10-6-8(11(12)13)9-7(10)2/h6H,3-5H2,1-2H3
InChI Key:
URMLZBFXWXJFTF-UHFFFAOYSA-N
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:
1.1
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