4-Thiazolecarboxylic acid, 2-(2-thienyl)-


Chemical Name: 4-Thiazolecarboxylic acid, 2-(2-thienyl)-
CAS Number: 24044-07-3
Product Number: AG006XLS(AGN-PC-0KKXG1)
Synonyms:
MDL No:
Molecular Formula: C8H5NO2S2
Molecular Weight: 211.2608

Identification/Properties


Computed Properties
Molecular Weight:
211.253g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
210.976g/mol
Monoisotopic Mass:
210.976g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
212
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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