3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-


Chemical Name: 3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-
CAS Number: 38521-46-9
Product Number: AG003HID(AGN-PC-0JUR3F)
Synonyms:
MDL No:
Molecular Formula: C6H5NO2S
Molecular Weight: 155.1744

Identification/Properties


Properties
MP:
263-265 °C(lit.)
BP:
295.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.5380 (estimate)
Computed Properties
Molecular Weight:
155.171g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
155.004g/mol
Monoisotopic Mass:
155.004g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
242
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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