1H-1,2,4-Triazol-3-amine, 5-(methylthio)-


Chemical Name: 1H-1,2,4-Triazol-3-amine, 5-(methylthio)-
CAS Number: 45534-08-5
Product Number: AG003IWP(AGN-PC-0OAIE3)
Synonyms:
MDL No:
Molecular Formula: C3H6N4S
Molecular Weight: 130.1715

Identification/Properties


Properties
MP:
130-133 °C(lit.)
BP:
393.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5605 (estimate)
Computed Properties
Molecular Weight:
130.169g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
130.031g/mol
Monoisotopic Mass:
130.031g/mol
Topological Polar Surface Area:
92.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
77.7
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-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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