2-cyano-1,3-thiazole-5-carboxylic acid


Chemical Name: 2-cyano-1,3-thiazole-5-carboxylic acid
CAS Number: 1167056-78-1
Product Number: AG01B9UU(AG01B9UU)
Synonyms:
MDL No:
Molecular Formula: C5H2N2O2S
Molecular Weight: 154.1466

Identification/Properties


Computed Properties
Molecular Weight:
154.143g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
153.984g/mol
Monoisotopic Mass:
153.984g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
197
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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