1,3,4-Thiadiazole-2(3H)-thione


Chemical Name: 1,3,4-Thiadiazole-2(3H)-thione
CAS Number: 18686-82-3
Product Number: AG003HHZ(AGN-PC-0KO6UU)
Synonyms:
MDL No: MFCD00040404
Molecular Formula: C2H2N2S2
Molecular Weight: 118.1807

Identification/Properties


Properties
MP:
142-144°C
BP:
176°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
118.172g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
117.966g/mol
Monoisotopic Mass:
117.966g/mol
Topological Polar Surface Area:
81.8A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
97.7
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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