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Home Sulfos 2-(Methylsulfonyl)-1H-imidazole

2-(Methylsulfonyl)-1H-imidazole

CAS No.:
27098-98-2
Catalog Number:
AG00CE5P
Molecular Formula:
C4H6N2O2S
Molecular Weight:
146.1676
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Product Description
Catalog Number:
AG00CE5P
Chemical Name:
2-(Methylsulfonyl)-1H-imidazole
CAS Number:
27098-98-2
Molecular Formula:
C4H6N2O2S
Molecular Weight:
146.1676
MDL Number:
MFCD01721366
IUPAC Name:
2-methylsulfonyl-1H-imidazole
InChI:
InChI=1S/C4H6N2O2S/c1-9(7,8)4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
InChI Key:
YNKRJGZPPAUPLQ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ncc[nH]1
NSC Number:
222403
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.015g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.164g/mol
Monoisotopic Mass:
146.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Synthesis and cloxacillin antimicrobial enhancement of 2-methylsulfonylimidazolyl-1,4-dihydropyridine derivatives. Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences 20100101
Nifedipine protects against overproduction of superoxide anion by monocytes from patients with systemic sclerosis. Arthritis research & therapy 20050101
Genetic algorithm applied to the selection of factors in principal component-artificial neural networks: application to QSAR study of calcium channel antagonist activity of 1,4-dihydropyridines (nifedipine analogous). Journal of chemical information and computer sciences 20030101
Quantitative structure-activity relationship study of recently synthesized 1,4-dihydropyridine calcium channel antagonists. Application of the Hansch analysis method. Archiv der Pharmazie 20021201
Properties