1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-


Chemical Name: 1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-
CAS Number: 18212-21-0
Product Number: AG0023DN(AGN-PC-0K4I8O)
Synonyms:
MDL No:
Molecular Formula: C4H4N2O2S
Molecular Weight: 144.1518

Identification/Properties


Properties
MP:
166 °C
BP:
315.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
144.148g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
143.999g/mol
Monoisotopic Mass:
143.999g/mol
Topological Polar Surface Area:
91.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
130
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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