CAS 137049-02-6 | 1H-Imidazole-4-sulfonyl chloride, 1,2-dimethyl- | CAS Number 137049-02-6

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137049-02-6 | 1H-Imidazole-4-sulfonyl chloride, 1,2-dimethyl-

CAS No: 137049-02-6 Catalog No: AG0012RK MDL No:MFCD01313780

Product Description

Catalog Number:

AG0012RK

Chemical Name:

1H-Imidazole-4-sulfonyl chloride, 1,2-dimethyl-

CAS Number:

137049-02-6

Molecular Formula:

C5H7ClN2O2S

Molecular Weight:

194.6393

MDL Number:

MFCD01313780

IUPAC Name:

1,2-dimethylimidazole-4-sulfonyl chloride

InChI:

InChI=1S/C5H7ClN2O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3

InChI Key:

JPAFTHVNSBWVQJ-UHFFFAOYSA-N

SMILES:

Cn1cc(nc1C)S(=O)(=O)Cl

Properties

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.992g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.633g/mol

Monoisotopic Mass:

193.992g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
In vitro formation of phase I and II metabolites of propranolol and determination of their structures using chemical derivatization and liquid chromatography-tandem mass spectrometry.	Journal of mass spectrometry : JMS 20090501
Structural evaluation of the glucuronides of morphine and formoterol using chemical derivatization with 1,2-dimethylimidazole-4-sulfonyl chloride and liquid chromatography/ion trap mass spectrometry.	Rapid communications in mass spectrometry : RCM 20080901
Analysis of steroidal estrogens as pyridine-3-sulfonyl derivatives by liquid chromatography electrospray tandem mass spectrometry.	Analytical biochemistry 20080401
1,2-Dimethylimidazole-4-sulfonyl chloride, a novel derivatization reagent for the analysis of phenolic compounds by liquid chromatography electrospray tandem mass spectrometry: application to 1-hydroxypyrene in human urine.	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070815