Home Sulfos (2-Carboxyethyl)dimethylsulfonium bromide

(2-Carboxyethyl)dimethylsulfonium bromide

CAS No.:
20986-22-5
Catalog Number:
AG002KGQ
Molecular Formula:
C5H11BrO2S
Molecular Weight:
215.1086
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Product Description
Catalog Number:
AG002KGQ
Chemical Name:
(2-Carboxyethyl)dimethylsulfonium bromide
CAS Number:
20986-22-5
Molecular Formula:
C5H11BrO2S
Molecular Weight:
215.1086
MDL Number:
MFCD00142887
IUPAC Name:
2-carboxyethyl(dimethyl)sulfanium;bromide
InChI:
InChI=1S/C5H10O2S.BrH/c1-8(2)4-3-5(6)7;/h3-4H2,1-2H3;1H
InChI Key:
UKHXPHLUQGMQOF-UHFFFAOYSA-N
SMILES:
C[S+](CCC(=O)O)C.[Br-]
Properties
Complexity:
80.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.966g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.105g/mol
Monoisotopic Mass:
213.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties