3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(phenylmethyl)-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(phenylmethyl)-
CAS Number: 31405-22-8
Product Number: AG00C8XJ(AGN-PC-0JVOFT)
Synonyms:
MDL No:
Molecular Formula: C11H13N3S
Molecular Weight: 219.3060

Identification/Properties


Computed Properties
Molecular Weight:
219.306g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
219.083g/mol
Monoisotopic Mass:
219.083g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
269
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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