5-Thiazolecarboxylic acid, 2-(1-methylethyl)-


Chemical Name: 5-Thiazolecarboxylic acid, 2-(1-methylethyl)-
CAS Number: 62657-87-8
Product Number: AG00IB28(AGN-PC-02K2LV)
Synonyms:
MDL No:
Molecular Formula: C7H9NO2S
Molecular Weight: 171.2169

Identification/Properties


Computed Properties
Molecular Weight:
171.214g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
171.035g/mol
Monoisotopic Mass:
171.035g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
161
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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