1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-


Chemical Name: 1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-
CAS Number: 3004-42-0
Product Number: AG003MY6(AGN-PC-0JVNPS)
Synonyms:
MDL No:
Molecular Formula: C8H6N2OS
Molecular Weight: 178.2110

Identification/Properties


Properties
MP:
219-222 °C(lit.);
BP:
247.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
178.209g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
178.02g/mol
Monoisotopic Mass:
178.02g/mol
Topological Polar Surface Area:
65.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
221
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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