Home Thiazoles 43040-02-4
43040-02-4,MFCD16834384
Catalog No.:AA00DJ6T
43040-02-4 | 1-(2-methylthiazol-5-yl)ethanone
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250mg
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Technical Information
Catalog Number:
AA00DJ6T
Chemical Name:
1-(2-methylthiazol-5-yl)ethanone
CAS Number:
43040-02-4
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD16834384
IUPAC Name:
1-(2-methyl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C6H7NOS/c1-4(8)6-3-7-5(2)9-6/h3H,1-2H3
InChI Key:
ANUKYNIYGCGGNK-UHFFFAOYSA-N
SMILES:
Cc1ncc(s1)C(=O)C
Properties
Computed Properties
 
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1-(2-methylthiazol-5-yl)ethanone 
43040-02-4 
1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one 
5-acetyl-2-methylthiazole 
SCHEMBL4781387 
ANUKYNIYGCGGNK-UHFFFAOYSA-N 
ZINC54159096 
AKOS011946660 
NE30210 
Ethanone, 1-(2-methyl-5-thiazolyl)- 
Literature
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