2-Pyridinethiol, 1-oxide


Chemical Name: 2-Pyridinethiol, 1-oxide
CAS Number: 1121-31-9
Product Number: AG003HX6(AGN-PC-0NXU8N)
Synonyms:
MDL No:
Molecular Formula: C5H5NOS
Molecular Weight: 127.1643

Identification/Properties


Properties
MP:
70-72 °C
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Stability:
Air & Light Sensitive
Refractive Index:
1.5480 (estimate)
Solubility:
Soluble in tris-hydrochloric acid.
Computed Properties
Molecular Weight:
127.161g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
127.009g/mol
Monoisotopic Mass:
127.009g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
162
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:
H302+H312+H332-H315-H319
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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