| CAS Number | 1019485-25-6 |
| Catalog Number | AG019WWO(AGN-PC-0WO34C) |
| Chemical Name | 2-(Ethylsulfanyl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-ethylsulfanylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H9NO2S/c1-2-12-7-5-6(8(10)11)3-4-9-7/h3-5H,2H2,1H3,(H,10,11) |
| InChI Key | KWHSFDDEONYSOT-UHFFFAOYSA-N |
| MDL Number | MFCD11136034 |
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.2276 |
| SMILES | CCSC1=NC=CC(C(O)=O)=C1 |
| Synonyms | 2-(ethylsulfanyl)pyridine-4-carboxylic acid,
1019485-25-6,
AC1Q38FK,
SCHEMBL1648244,
CTK6G4851,
ZINC19869577,
AKOS000220788,
MCULE-5310162865,
NE30101,
EN300-53361,
AB01005615-01,
|
| 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