1,3,4-Thiadiazole-2-carboxylic acid, 5-(1,1-dimethylethyl)-, ethyl ester


Chemical Name: 1,3,4-Thiadiazole-2-carboxylic acid, 5-(1,1-dimethylethyl)-, ethyl ester
CAS Number: 507476-05-3
Product Number: AG00DA2G(AGN-PC-0KKLP3)
Synonyms:
MDL No: MFCD03425202
Molecular Formula: C9H14N2O2S
Molecular Weight: 214.28466

Identification/Properties


Computed Properties
Molecular Weight:
214.283g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
214.078g/mol
Monoisotopic Mass:
214.078g/mol
Topological Polar Surface Area:
80.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
215
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


NMR Spectrum


Other Analytical Data


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