| CAS Number | 14440-97-2 |
| Catalog Number | AG01C21G |
| Chemical Name | 3-(Ethylsulfanyl)pyridine-2-carboxylic acid |
| IUPAC Name | 3-ethylsulfanylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO2S/c1-2-12-6-4-3-5-9-7(6)8(10)11/h3-5H,2H2,1H3,(H,10,11) |
| InChI Key | RALPFOAVVTWNMR-UHFFFAOYSA-N |
| MDL Number | MFCD20647127 |
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.2276 |
| SMILES | O=C(O)C1=NC=CC=C1SCC |
| Synonyms | 14440-97-2,
3-(Ethylthio)picolinic acid,
3-(ethylsulfanyl)pyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 3-(ethylthio)-,
3-ethylsulfanylpicolinic acid,
SCHEMBL14676586,
RALPFOAVVTWNMR-UHFFFAOYSA-N,
ZINC88077410,
AKOS017532012,
3-ethylsulfanylpyridin-2-carboxylic acid,
3-ethylsulfanylpyridine-2-carboxylic acid,
Z2240999316,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.225g/mol |
| Monoisotopic Mass | 183.035g/mol |
| Rotatable Bond Count | 3 |
| 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
Certificate of Analysis
Lot Number