| CAS Number | 69981-39-1 |
| Catalog Number | AG00IBZY(AGN-PC-0TXGMD) |
| Chemical Name | Ethanol, 2,2'-dithiobis-, bis(4-methylbenzenesulfonate) |
| IUPAC Name | 2-[2-(4-methylphenyl)sulfonyloxyethyldisulfanyl]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C18H22O6S4/c1-15-3-7-17(8-4-15)27(19,20)23-11-13-25-26-14-12-24-28(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3 |
| InChI Key | BBGVCMPJFAYXLJ-UHFFFAOYSA-N |
| MDL Number | MFCD28976689 |
| Molecular Formula | C18H22O6S4 |
| Molecular Weight | 462.6237 |
| SMILES | S(CCOS(C1=CC=C(C)C=C1)(=O)=O)SCCOS(C1=CC=C(C)C=C1)(=O)=O |
| Synonyms | Bis-Tos-(2-hydroxyethyl disulfide),
SCHEMBL10908420,
ZINC139205924,
FCH4183409,
BP-22823,
OR323185,
69981-39-1,
|
| Complexity | 579 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 462.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 462.608g/mol |
| Monoisotopic Mass | 462.03g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 154A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number