Carbonothioic acid, O,O-di-2-pyridinyl ester


Chemical Name: Carbonothioic acid, O,O-di-2-pyridinyl ester
CAS Number: 96989-50-3
Product Number: AG0034P5(AGN-PC-0JVF1M)
Synonyms:
MDL No:
Molecular Formula: C11H8N2O2S
Molecular Weight: 232.2584

Identification/Properties


Properties
MP:
94-98°C(lit.)
BP:
358.7°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
232.257g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
232.031g/mol
Monoisotopic Mass:
232.031g/mol
Topological Polar Surface Area:
76.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
216
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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