1-(2-Ethoxy-phenyl)-1H-tetrazole-5-thiol


Chemical Name: 1-(2-Ethoxy-phenyl)-1H-tetrazole-5-thiol
CAS Number: 22347-26-8
Product Number: AG00BFDT(AGN-PC-0WAIQ8)
Synonyms:
MDL No:
Molecular Formula: C9H10N4OS
Molecular Weight: 222.2669

Identification/Properties


Computed Properties
Molecular Weight:
222.266g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
222.058g/mol
Monoisotopic Mass:
222.058g/mol
Topological Polar Surface Area:
81.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
271
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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