| CAS Number | 1235441-80-1 |
| Catalog Number | AG01A7RB |
| Chemical Name | N-[(dodecylsulfanyl)({[(4-methoxyphenyl)methyl]amino})methylidene]-3-ethoxypropan-1-amine hydrobromide |
| IUPAC Name | dodecyl N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidothioate;hydrobromide |
| InChI | InChI=1S/C26H46N2O2S.BrH/c1-4-6-7-8-9-10-11-12-13-14-22-31-26(27-20-15-21-30-5-2)28-23-24-16-18-25(29-3)19-17-24;/h16-19H,4-15,20-23H2,1-3H3,(H,27,28);1H |
| InChI Key | QGMVOKYJYSCICP-UHFFFAOYSA-N |
| MDL Number | MFCD16039998 |
| Molecular Formula | C26H47BrN2O2S |
| Molecular Weight | 531.6326 |
| SMILES | Br.CCCCCCCCCCCCSC(NCC1=CC=C(OC)C=C1)=NCCCOCC |
| Synonyms | N-[(dodecylsulfanyl)({[(4-methoxyphenyl)methyl]amino})methylidene]-3-ethoxypropan-1-amine hydrobromide,
1235441-80-1,
AC1Q23EN,
AKOS008150675,
AKOS016909410,
NE15899,
EN300-59594,
(NZ)-N-[(dodecylsulfanyl)({[(4-methoxyphenyl)methyl]amino})methylidene]-3-ethoxypropan-1-amine hydrobromide,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 530.254g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 531.638g/mol |
| Monoisotopic Mass | 530.254g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number