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


Chemical Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methylphenyl)-
CAS Number: 36017-19-3
Product Number: AG007CNA(AGN-PC-0KBTDF)
Synonyms:
MDL No:
Molecular Formula: C9H9N3S
Molecular Weight: 191.2529

Identification/Properties


Computed Properties
Molecular Weight:
191.252g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
191.052g/mol
Monoisotopic Mass:
191.052g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
239
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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