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137371-96-1 | Ethane, 1,1'-sulfonylbis[2-(methylsulfinyl)-
CAS No: 137371-96-1 Catalog No: AG00136E MDL No:
Product Description
Catalog Number:
AG00136E
Chemical Name:
Ethane, 1,1'-sulfonylbis[2-(methylsulfinyl)-
CAS Number:
137371-96-1
Molecular Formula:
C6H14O4S3
Molecular Weight:
246.3680
IUPAC Name:
1-methylsulfinyl-2-(2-methylsulfinylethylsulfonyl)ethane
InChI:
InChI=1S/C6H14O4S3/c1-11(7)3-5-13(9,10)6-4-12(2)8/h3-6H2,1-2H3
InChI Key:
CGWQFULXJFXDII-UHFFFAOYSA-N
SMILES:
CS(=O)CCS(=O)(=O)CCS(=O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.354g/mol
Monoisotopic Mass:
246.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
Literature
| Title | Journal |
|---|---|
| Development and validation of efficient stable isotope dilution LC-HESI-MS/MS method for the verification of β-lyase metabolites in human urine after sulfur mustard exposure. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110415 |
| A sensitive method for quantitation of beta-lyase metabolites of sulfur mustard as 1,1'-sulfonylbis[2-(methylthio)ethane] (SBMTE) in human urine by isotope dilution liquid chromatography-positive ion-electrospray-tandem mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070501 |
| Quantitation of the sulfur mustard metabolites 1,1'-sulfonylbis[2-(methylthio)ethane] and thiodiglycol in urine using isotope-dilution Gas chromatography-tandem mass spectrometry. | Journal of analytical toxicology 20040101 |
| A rapid, sensitive method for the quantitation of specific metabolites of sulfur mustard in human urine using isotope-dilution gas chromatography-tandem mass spectrometry. | Journal of analytical toxicology 20040101 |
| Analysis of beta-lyase metabolites of sulfur mustard in urine by electrospray liquid chromatography-tandem mass spectrometry. | Journal of analytical toxicology 20040101 |
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