3H-1,2,4-Triazole-3-thione, 4-(2,4-dimethylphenyl)-2,4-dihydro-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 4-(2,4-dimethylphenyl)-2,4-dihydro-
CAS Number: 66297-59-4
Product Number: AG00FFN8(AGN-PC-0LEPWT)
Synonyms:
MDL No:
Molecular Formula: C10H11N3S
Molecular Weight: 205.2794

Identification/Properties


Computed Properties
Molecular Weight:
205.279g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
205.067g/mol
Monoisotopic Mass:
205.067g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
264
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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