| CAS Number | 1807512-37-3 |
| Catalog Number | AG00I07D(AGN-PC-0WR1LK) |
| Chemical Name | THP-SS-PEG1-Tos |
| IUPAC Name | 2-[2-(oxan-2-yloxy)ethyldisulfanyl]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C16H24O5S3/c1-14-5-7-15(8-6-14)24(17,18)21-11-13-23-22-12-10-20-16-4-2-3-9-19-16/h5-8,16H,2-4,9-13H2,1H3 |
| InChI Key | WJDBLPWPLQRBJB-UHFFFAOYSA-N |
| MDL Number | MFCD28950768 |
| Molecular Formula | C16H24O5S3 |
| Molecular Weight | 392.5538 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCSSCCOC1OCCCC1 |
| Synonyms | THP-SS-PEG1-Tos,
1807512-37-3,
BIPG1855,
BP-22778,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.543g/mol |
| Monoisotopic Mass | 392.079g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number