3-sulfanylpyridine-2-carboxylic acid;hydrochloride


Chemical Name: 3-sulfanylpyridine-2-carboxylic acid;hydrochloride
CAS Number: 320386-54-7
Product Number: AG00C92B(AGN-PC-04Q02Q)
Synonyms:
MDL No: MFCD01320417
Molecular Formula: C6H6ClNO2S
Molecular Weight: 191.6353

Identification/Properties


Computed Properties
Molecular Weight:
191.629g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
190.981g/mol
Monoisotopic Mass:
190.981g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
140
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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