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22551-24-2

22551-24-2 | 2-(Methylthio)acetamide

CAS No: 22551-24-2 Catalog No: AG0038VE MDL No:MFCD00041321

Product Description

Catalog Number:
AG0038VE
Chemical Name:
2-(Methylthio)acetamide
CAS Number:
22551-24-2
Molecular Formula:
C3H7NOS
Molecular Weight:
105.1588
MDL Number:
MFCD00041321
IUPAC Name:
2-methylsulfanylacetamide
InChI:
InChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
InChI Key:
OBENGAMZEGRSIC-UHFFFAOYSA-N
SMILES:
CSCC(=O)N

Properties

Complexity:
54.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.025g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
105.155g/mol
Monoisotopic Mass:
105.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Literature

Title Journal
Oxidation of Helix-3 methionines precedes the formation of PK resistant PrP. PLoS pathogens 20100701
Efficient alpha-(alkylthio)alkyl-type radical formation in (*)OH-induced oxidation of alpha-(methylthio)acetamide. The journal of physical chemistry. A 20100114
Methionine sulfoxides on PrPSc: a prion-specific covalent signature. Biochemistry 20080826
Iodoacetamide-alkylated methionine can mimic neutral loss of phosphoric acid from phosphopeptides as exemplified by nano-electrospray ionization quadrupole time-of-flight parent ion scanning. Rapid communications in mass spectrometry : RCM 20050101
Bimolecular homolytic substitution (S(H)2) reactions with hydrogen atoms. time-resolved electron spin resonance detection in the pulse radiolysis of alpha-(methylthio)acetamide. Journal of the American Chemical Society 20041110

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