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Home > Imidazoles > 80812-44-8
80812-44-8 | 1H-Imidazole,1-methyl-4-nitro-5-(phenylthio)-
CAS No: 80812-44-8 Catalog No: AG00517N MDL No:MFCD01416584
Product Description
Catalog Number:
AG00517N
Chemical Name:
1H-Imidazole,1-methyl-4-nitro-5-(phenylthio)-
CAS Number:
80812-44-8
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
MDL Number:
MFCD01416584
IUPAC Name:
1-methyl-4-nitro-5-phenylsulfanylimidazole
InChI:
InChI=1S/C10H9N3O2S/c1-12-7-11-9(13(14)15)10(12)16-8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
JSTDAVYXINFTFX-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1Sc1ccccc1)[N+](=O)[O-]
NSC Number:
76245
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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