| CAS Number | 74470-26-1 |
| Catalog Number | AG005XO1(AGN-PC-0JWJ63) |
| Chemical Name | 6-(Methylsulfanyl)pyridine-2-carboxylic acid |
| IUPAC Name | 6-methylsulfanylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H7NO2S/c1-11-6-4-2-3-5(8-6)7(9)10/h2-4H,1H3,(H,9,10) |
| InChI Key | KDCZJBIMHDPTJP-UHFFFAOYSA-N |
| MDL Number | MFCD01860220 |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.2010 |
| SMILES | CSC1=NC(C(O)=O)=CC=C1 |
| Synonyms | 74470-26-1,
6-(Methylthio)picolinic acid,
2-Pyridinecarboxylic acid, 6-(methylthio)-,
6-(methylsulfanyl)pyridine-2-carboxylic acid,
6-methylsulfanylpyridine-2-carboxylic Acid,
AC1LGDDG,
SCHEMBL17489048,
CTK2H0120,
DTXSID10356080,
ZINC335034,
AKOS008910014,
Z24821871,
CID819413,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.198g/mol |
| Monoisotopic Mass | 169.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number