| CAS Number | 663598-55-8 |
| Catalog Number | AG01FFM4(AGN-PC-03OK0O) |
| Chemical Name | 4-[(5-Nitro-2-pyridinyl)dithio]pentanoic acid |
| IUPAC Name | 4-[(5-nitropyridin-2-yl)disulfanyl]pentanoic acid |
| InChI | InChI=1S/C10H12N2O4S2/c1-7(2-5-10(13)14)17-18-9-4-3-8(6-11-9)12(15)16/h3-4,6-7H,2,5H2,1H3,(H,13,14) |
| InChI Key | PRPUZAGHPOFJRJ-UHFFFAOYSA-N |
| MDL Number | MFCD27935394 |
| Molecular Formula | C10H12N2O4S2 |
| Molecular Weight | 288.3433 |
| SMILES | OC(=O)CCC(SSc1ccc(cn1)[N+](=O)[O-])C |
| Synonyms | 663598-55-8,
4-[(5-Nitropyridin-2-yl)disulfanyl]pentanoic acid,
SCHEMBL1137140,
CTK1I0344,
DTXSID30625321,
Pentanoic acid, 4-[(5-nitro-2-pyridinyl)dithio]-,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.336g/mol |
| Monoisotopic Mass | 288.024g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number