3H-1,2,4-Triazole-3-thione, 5-cyclohexyl-4-ethyl-2,4-dihydro-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 5-cyclohexyl-4-ethyl-2,4-dihydro-
CAS Number: 482650-81-7
Product Number: AG00DCM8(AGN-PC-0JX9AA)
Synonyms:
MDL No:
Molecular Formula: C10H17N3S
Molecular Weight: 211.3271

Identification/Properties


Computed Properties
Molecular Weight:
211.327g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
211.114g/mol
Monoisotopic Mass:
211.114g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
256
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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