| CAS Number | 1173621-67-4 |
| Catalog Number | AG019UY6 |
| Chemical Name | (Dodecylsulfanyl)-n-phenylmethanimidamide hydrobromide |
| IUPAC Name | dodecyl N'-phenylcarbamimidothioate;hydrobromide |
| InChI | InChI=1S/C19H32N2S.BrH/c1-2-3-4-5-6-7-8-9-10-14-17-22-19(20)21-18-15-12-11-13-16-18;/h11-13,15-16H,2-10,14,17H2,1H3,(H2,20,21);1H |
| InChI Key | TYPMJEKIXPJXPZ-UHFFFAOYSA-N |
| MDL Number | MFCD11858029 |
| Molecular Formula | C19H33BrN2S |
| Molecular Weight | 401.4477 |
| SMILES | Br.CCCCCCCCCCCCSC(NC1=CC=CC=C1)=N |
| Synonyms | N-phenyl(dodecylsulfanyl)methanimidamide hydrobromide,
(dodecylsulfanyl)-N-phenylmethanimidamide hydrobromide,
1173621-67-4,
AC1Q23EP,
CTK6E0424,
AKOS034361291,
MCULE-3056795335,
NE31804,
EN300-43183,
N'-phenyl(dodecylsulfanyl)methanimidamide hydrobromide,
Z449368970,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.451g/mol |
| Monoisotopic Mass | 400.155g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number