4-Amino-5-(2-methoxy-5-methyl-phenyl)-4H-[1,2,4]triazole-3-thiol


Chemical Name: 4-Amino-5-(2-methoxy-5-methyl-phenyl)-4H-[1,2,4]triazole-3-thiol
CAS Number: 565178-09-8
Product Number: AG00IA2Y(AGN-PC-0WAI2W)
Synonyms:
MDL No:
Molecular Formula: C10H12N4OS
Molecular Weight: 236.2935

Identification/Properties


Computed Properties
Molecular Weight:
236.293g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
236.073g/mol
Monoisotopic Mass:
236.073g/mol
Topological Polar Surface Area:
95A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
320
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

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NMR Spectrum


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