2-methanesulfonyl-1H-imidazole - CAS 27098-98-2

Catalog:	BB019461
Product Name:	2-methanesulfonyl-1H-imidazole
CAS:	27098-98-2
Synonyms:	2-methylsulfonyl-1H-imidazole; 2-methylsulfonyl-1H-imidazole

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-methylsulfonyl-1H-imidazole
Description:	2-methanesulfonyl-1H-imidazole (CAS# 27098-98-2) is a useful research chemical.
Molecular Weight:	146.164
Molecular Formula:	C4H6N2O2S
Canonical SMILES:	CS(=O)(=O)C1=NC=CN1
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
Boiling Point:	356.8 °C at 760 mmHg
Density:	1.422 g/cm³
LogP:	0.89400

Publication Number	Title	Priority Date
CN-110494219-A	The catalyst of circulatory support	20161027
TW-201444817-A	Pest control composition and pest control method	20130131
TW-201444818-A	Pest control composition and pest control method	20130131
TW-201444819-A	Pest control composition and pest control method	20130131
TW-I607005-B	Pest control composition and pest control method	20130131

PMID	Publication Date	Title	Journal
22615605	20100101	Synthesis and cloxacillin antimicrobial enhancement of 2-methylsulfonylimidazolyl-1,4-dihydropyridine derivatives	Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences
15642147	20050101	Nifedipine protects against overproduction of superoxide anion by monocytes from patients with systemic sclerosis	Arthritis research & therapy
12870926	20030701	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
12506395	20021201	Quantitative structure-activity relationship study of recently synthesized 1,4-dihydropyridine calcium channel antagonists. Application of the Hansch analysis method	Archiv der Pharmazie

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Related Functional Groups

Imidazoles

[152536-39-5]
1,4,5-Trimethyl-2-phenyl-1H-imidazole
[40953-34-2]
2-Amino-4,5-imidazoledicarbonitrile
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[54004-47-6]
1-Tetradecylimidazole
[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
[828299-73-6]
3-Allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[874-87-3]
4-(Methylthio)benzyl chloride
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1879-16-9]
4-Methoxythioanisole
[21124-33-4]
Ammonium diethyldithiocarbamate
[52147-97-4]
trans-β-Styrenesulfonyl chloride

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.01499861
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.01499861
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4