5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol


Chemical Name: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol
CAS Number: 742094-74-2
Product Number: AG00ICHS(AGN-PC-0WAI3E)
Synonyms:
MDL No:
Molecular Formula: C12H15N3O2S2
Molecular Weight: 297.3964

Identification/Properties


Computed Properties
Molecular Weight:
297.391g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
297.061g/mol
Monoisotopic Mass:
297.061g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
352
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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