| CAS Number | 1394136-26-5 |
| Catalog Number | AG01FPE7(AGN-PC-3H5ON7) |
| Chemical Name | 2-Cyano-5-hydroxypentan-2-yl dodecyl trithiocarbonate |
| IUPAC Name | 2-dodecylsulfanylcarbothioylsulfanyl-5-hydroxy-2-methylpentanenitrile |
| InChI | InChI=1S/C19H35NOS3/c1-3-4-5-6-7-8-9-10-11-12-16-23-18(22)24-19(2,17-20)14-13-15-21/h21H,3-16H2,1-2H3 |
| InChI Key | SAFBIHFUHZPVOZ-UHFFFAOYSA-N |
| Molecular Formula | C19H35NOS3 |
| Molecular Weight | 389.6823 |
| SMILES | CCCCCCCCCCCCSC(=S)SC(CCCO)(C#N)C |
| Synonyms | 1394136-26-5,
SCHEMBL17556641,
4-cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanol,
2-Cyano-5-hydroxypentan-2-yl dodecyl carbonotrithioate,
4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl]pentanol,
2-[(Dodecylthio)(thiocarbonyl)thio]-2-methyl-5-hydroxypentanenitrile,
2-Cyano-5-hydroxypentan-2-yl dodecyl trithiocarbonate@CRLF1394136-26-5,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.188078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.7g/mol |
| Monoisotopic Mass | 389.188078g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 127Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number