1,3,4-Thiadiazol-2(3H)-one, 5-(trifluoromethyl)-


Chemical Name: 1,3,4-Thiadiazol-2(3H)-one, 5-(trifluoromethyl)-
CAS Number: 84352-75-0
Product Number: AG003DFZ(AGN-PC-0NKEQH)
Synonyms:
MDL No:
Molecular Formula: C3HF3N2OS
Molecular Weight: 170.1130

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
170.109g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
169.976g/mol
Monoisotopic Mass:
169.976g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
198
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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