| CAS Number | 452072-22-9 |
| Catalog Number | AG01FFM5(AGN-PC-00B3N4) |
| Chemical Name | 4-(pyridin-2-yldisulfanyl)pentanoic acid |
| IUPAC Name | 4-(pyridin-2-yldisulfanyl)pentanoic acid |
| InChI | InChI=1S/C10H13NO2S2/c1-8(5-6-10(12)13)14-15-9-4-2-3-7-11-9/h2-4,7-8H,5-6H2,1H3,(H,12,13) |
| InChI Key | OOUPHXWHXYLQBK-UHFFFAOYSA-N |
| MDL Number | MFCD21332845 |
| Molecular Formula | C10H13NO2S2 |
| Molecular Weight | 243.3457 |
| SMILES | N1=C(C=CC=C1)SSC(CCC(=O)O)C |
| Synonyms | Pentanoic acid, 4-(2-pyridinyldithio)-,
SCHEMBL1395632,
SCHEMBL16132816,
452072-22-9,
4-pyridin-2-yldisulfanylpentanoic Acid,
CID11536061,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.339g/mol |
| Monoisotopic Mass | 243.039g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number