| CAS Number | 302931-65-3 |
| Catalog Number | AG01EUS2(AGN-PC-3H47N7) |
| Chemical Name | 2,2-Bis(decyl)propane-1,3-dithiol |
| IUPAC Name | 2,2-didecylpropane-1,3-dithiol |
| InChI | InChI=1S/C23H48S2/c1-3-5-7-9-11-13-15-17-19-23(21-24,22-25)20-18-16-14-12-10-8-6-4-2/h24-25H,3-22H2,1-2H3 |
| InChI Key | IKOBKNJGRTUUKH-UHFFFAOYSA-N |
| MDL Number | MFCD00968240 |
| Molecular Formula | C23H48S2 |
| Molecular Weight | 388.7572 |
| SMILES | C(CCCCCCCCCC)(CCCCCCCCCC)(CS)CS |
| Synonyms | 2,2-Bis(decyl)propane-1,3-dithiol,
302931-65-3,
2,2-didecylpropane-1,3-dithiol,
AC1MSX1X,
SCHEMBL3416568,
ZINC102999245,
CID3541445,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.32g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.757g/mol |
| Monoisotopic Mass | 388.32g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 11.4 |
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Certificate of Analysis
Lot Number