Home Other Building Blocks Acetic acid, 2-(methylthio)-, methyl ester

Acetic acid, 2-(methylthio)-, methyl ester

CAS No.:
16630-66-3
Catalog Number:
AG001WM5
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>99.0%(GC)
1 week
United States
$81
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Product Description
Catalog Number:
AG001WM5
Chemical Name:
Acetic acid, 2-(methylthio)-, methyl ester
CAS Number:
16630-66-3
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
MDL Number:
MFCD00039809
IUPAC Name:
methyl 2-methylsulfanylacetate
InChI:
InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3
InChI Key:
HZYCAKGEXXKCDM-UHFFFAOYSA-N
SMILES:
CSCC(=O)OC
EC Number:
240-683-4
UNII:
GN58C28ML9
FEMA Number:
4003
Properties
Complexity:
62.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.025g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.166g/mol
Monoisotopic Mass:
120.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Identification of new strawberry sulfur volatiles and changes during maturation. Journal of agricultural and food chemistry 20110223
Properties