Home Carboxys dimethyl-1,2-thiazole-4-carboxylic acid

dimethyl-1,2-thiazole-4-carboxylic acid

CAS No.:
21486-26-0
Catalog Number:
AG01BAI4
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
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Product Description
Catalog Number:
AG01BAI4
Chemical Name:
dimethyl-1,2-thiazole-4-carboxylic acid
CAS Number:
21486-26-0
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD19981453
IUPAC Name:
3,5-dimethyl-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C6H7NO2S/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)
InChI Key:
QFUYZERHMQJGCA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nsc1C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties