3H-1,2,4-Triazole-3-thione, 1,2-dihydro-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-
CAS Number: 3179-31-5
Product Number: AG0032RM(AGN-PC-0KK00K)
Synonyms:
MDL No:
Molecular Formula: C2H3N3S
Molecular Weight: 101.1303

Identification/Properties


Properties
MP:
221-224 °C(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5800 (estimate)
Solubility:
H2O: soluble50g/L
Computed Properties
Molecular Weight:
101.127g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
101.005g/mol
Monoisotopic Mass:
101.005g/mol
Topological Polar Surface Area:
68.5A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
97
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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