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Home Other Building Blocks Ethyl 2-mercaptoacetate

Ethyl 2-mercaptoacetate

CAS No.:
623-51-8
Catalog Number:
AG0034WW
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$47
- +
25g
95%
In Stock USA
United States
$71
- +
100g
95%
In Stock USA
United States
$137
- +
Product Description
Catalog Number:
AG0034WW
Chemical Name:
Ethyl 2-mercaptoacetate
CAS Number:
623-51-8
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
MDL Number:
MFCD00004874
IUPAC Name:
ethyl 2-sulfanylacetate
InChI:
InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
InChI Key:
PVBRSNZAOAJRKO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CS
EC Number:
210-800-3
UNII:
Z5SD8DD6CP
NSC Number:
8834
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:
1  
Isotope Atom Count:
0
Molecular Weight:
120.166g/mol
Monoisotopic Mass:
120.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Rapid consecutive three-component coupling-Fiesselmann synthesis of luminescent 2,4-disubstituted thiophenes and oligothiophenes. Chemical communications (Cambridge, England) 20120218
Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists. Journal of medicinal chemistry 20111027
Identification of ethyl 2-sulfanylacetate as an important off-odor compound in white wines. Journal of agricultural and food chemistry 20110928
Ethyl 3-amino-4H-thieno[2,3-b]pyridine-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090101
Efficient synthesis of 5-substituted 2-aryl-6-cyanoindolizines via nucleophilic substitution reactions. Beilstein journal of organic chemistry 20050101
Properties