| CAS Number | 5694-54-2 |
| Catalog Number | AG01B1WZ(AGN-PC-0MYTXG) |
| Chemical Name | 5-(1,2-Dithiolan-4-Yl)Pentanoic Acid |
| IUPAC Name | 5-(dithiolan-4-yl)pentanoic acid |
| InChI | InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-11-12-6-7/h7H,1-6H2,(H,9,10) |
| InChI Key | YGXKWXGMWPKPQK-UHFFFAOYSA-N |
| MDL Number | MFCD24480236 |
| Molecular Formula | C8H14O2S2 |
| Molecular Weight | 206.3256 |
| SMILES | S1SCC(C1)CCCCC(=O)O |
| Synonyms | 5-(1,2-dithiolan-4-yl)pentanoic acid,
5694-54-2,
1,2-Dithiolane-4-pentanoic acid,
ZINC34217058,
5-(dithiolan-4-yl)pentanoic Acid,
CID10104452,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.318g/mol |
| Monoisotopic Mass | 206.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number