| CAS Number | 743452-45-1 |
| Catalog Number | AG019JCN(AGN-PC-0WCNW0) |
| Chemical Name | N-Benzyl-6-ethoxy-1,3-benzothiazol-2-amine |
| IUPAC Name | N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C16H16N2OS/c1-2-19-13-8-9-14-15(10-13)20-16(18-14)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18) |
| InChI Key | WGWKHFGRLSGXBF-UHFFFAOYSA-N |
| MDL Number | MFCD05263771 |
| Molecular Formula | C16H16N2OS |
| Molecular Weight | 284.3760 |
| SMILES | CCOC1=CC2=C(N=C(S2)NCC2=CC=CC=C2)C=C1 |
| Synonyms | N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine,
743452-45-1,
AC1NMZ8T,
AC1Q37V5,
CTK6G2684,
ZINC3887641,
AKOS005198592,
MCULE-2353315066,
EN300-09102,
L-4899,
AB00723407-01,
Z55176402,
F2146-0344,
ZINC03887641,
CID5018499,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.377g/mol |
| Monoisotopic Mass | 284.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number