| CAS Number | 558484-21-2 |
| Catalog Number | AG00DLL3(AGN-PC-0CV3KE) |
| Chemical Name | DoPAT |
| IUPAC Name | 2-dodecylsulfanylcarbothioylsulfanylpropanoic acid |
| InChI | InChI=1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18) |
| InChI Key | CFCFZJHCTNKHGJ-UHFFFAOYSA-N |
| MDL Number | MFCD22200510 |
| Molecular Formula | C16H30O2S3 |
| Molecular Weight | 350.6032 |
| SMILES | CCCCCCCCCCCCSC(SC(C(O)=O)C)=S |
| Synonyms | 2-(((dodecylthio)carbonothioyl)thio)propanoic acid,
SCHEMBL181033,
MFCD22200510,
558484-21-2,
2-(Dodecylthiocarbonothioylthio)propanoic acid,
2-(Dodecylthiocarbonothioylthio)propionic acid, 97%,
2-((dodecylsulfanyl)carbonothioyl)sulfanyl propionic acid,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.594g/mol |
| Monoisotopic Mass | 350.141g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number