| CAS Number | 870532-86-8 |
| Catalog Number | AG00IEBY(AGN-PC-0VA5D0) |
| Chemical Name | Thioperoxydicarbonic acid ([(HS)C(S)]2S2), didodecyl ester |
| IUPAC Name | dodecylsulfanyl-(dodecylsulfanylcarbothioyldisulfanyl)methanethione |
| InChI | InChI=1S/C26H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)31-32-26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3 |
| InChI Key | UUNRYKCXJSDLRD-UHFFFAOYSA-N |
| MDL Number | MFCD16621489 |
| Molecular Formula | C26H50S6 |
| Molecular Weight | 555.0652 |
| SMILES | S=C(SSC(SCCCCCCCCCCCC)=S)SCCCCCCCCCCCC |
| Synonyms | bis(dodecylsulfanyl thiocarbonyl)disulfide,
870532-86-8,
Bis(dodecylsulfanylthiocarbonyl) disulfide,
SCHEMBL2771539,
DTXSID40470687,
UUNRYKCXJSDLRD-UHFFFAOYSA-N,
ZINC101239727,
Bis(dodecylthiocarbonothioyl) persulfide,
bis-(dodecylsulfanylthiocarbonyl)disulfide,
Bis(dodecylsulfanylthiocarbonyl) disulfide, 98% (HPLC),
CID11692515,
Dodecylsulfanyl-dodecylsulfanylcarbothioyldisulfanyl-methanethione,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 554.224g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 555.046g/mol |
| Monoisotopic Mass | 554.224g/mol |
| Rotatable Bond Count | 27 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number