| CAS Number | 887578-22-5 |
| Catalog Number | AG01AA86(AGN-PC-0WO1P0) |
| Chemical Name | 6-(Ethylsulfanyl)pyridine-3-carboxylic acid |
| IUPAC Name | 6-ethylsulfanylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9NO2S/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5H,2H2,1H3,(H,10,11) |
| InChI Key | PZQGEXFLCREFKL-UHFFFAOYSA-N |
| MDL Number | MFCD03426635 |
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.2276 |
| SMILES | CCSC1=NC=C(C(O)=O)C=C1 |
| Synonyms | 6-(ethylsulfanyl)pyridine-3-carboxylic acid,
887578-22-5,
AC1LGDEA,
AC1Q38FH,
SCHEMBL4432631,
6-(ethylsulfanyl)nicotinic acid,
CTK6G4885,
ZINC335060,
SBB090064,
6-ethylthiopyridine-3-carboxylic acid,
AKOS000220790,
MCULE-7945282934,
NE21392,
6-ethylsulfanylpyridine-3-carboxylic acid,
EN300-67429,
Z1171979222,
CID819425,
AJ-333/25116018,
|
| 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