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Home > Imidazoles > 110578-98-8
110578-98-8 | Acetamide,2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
CAS No: 110578-98-8 Catalog No: AG0083NB MDL No:
Product Description
Catalog Number:
AG0083NB
Chemical Name:
Acetamide,2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
CAS Number:
110578-98-8
Molecular Formula:
C6H8N4O3S
Molecular Weight:
216.2177
IUPAC Name:
2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetamide
InChI:
InChI=1S/C6H8N4O3S/c1-3-8-5(10(12)13)6(9-3)14-2-4(7)11/h2H2,1H3,(H2,7,11)(H,8,9)
InChI Key:
JSWQHEXCIKNKBI-UHFFFAOYSA-N
SMILES:
NC(=O)CSc1[nH]c(nc1[N+](=O)[O-])C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.215g/mol
Monoisotopic Mass:
216.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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