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Home Sulfos Methanesulfonic acid,2-propen-1-yl ester

Methanesulfonic acid,2-propen-1-yl ester

CAS No.:
6728-21-8
Catalog Number:
AG006IXK
Molecular Formula:
C4H8O3S
Molecular Weight:
136.1695
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Product Description
Catalog Number:
AG006IXK
Chemical Name:
Methanesulfonic acid,2-propen-1-yl ester
CAS Number:
6728-21-8
Molecular Formula:
C4H8O3S
Molecular Weight:
136.1695
MDL Number:
MFCD01715319
IUPAC Name:
prop-2-enyl methanesulfonate
InChI:
InChI=1S/C4H8O3S/c1-3-4-7-8(2,5)6/h3H,1,4H2,2H3
InChI Key:
SUDMKGNNRMLBMF-UHFFFAOYSA-N
SMILES:
C=CCOS(=O)(=O)C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.019g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.165g/mol
Monoisotopic Mass:
136.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
In vivo metabolism of diallyl disulphide in the rat: identification of two new metabolites. Xenobiotica; the fate of foreign compounds in biological systems 20021201
On the role of alkylating mechanisms, O-alkylation and DNA-repair in genotoxicity and mutagenicity of alkylating methanesulfonates of widely varying structures in bacterial systems. Chemico-biological interactions 20010731
Properties