| CAS Number | 458550-54-4 |
| Catalog Number | AG00D94L(AGN-PC-0WCZJJ) |
| Chemical Name | N-(4-CARBETHOXYPHENYL)-N-4-(6'-BENZOTHIAZOLE)AMINE |
| IUPAC Name | ethyl 4-(1,3-benzothiazol-6-ylamino)benzoate |
| InChI | InChI=1S/C16H14N2O2S/c1-2-20-16(19)11-3-5-12(6-4-11)18-13-7-8-14-15(9-13)21-10-17-14/h3-10,18H,2H2,1H3 |
| InChI Key | FJUDDTILXQRISJ-UHFFFAOYSA-N |
| MDL Number | MFCD04115333 |
| Molecular Formula | C16H14N2O2S |
| Molecular Weight | 298.3596 |
| SMILES | S1C=NC2=CC=C(C=C12)NC1C=CC(C(=O)OCC)=CC=1 |
| Synonyms | 458550-54-4,
N-(4-Carbethoxyphenyl)-N-4-(6'-benzothiazole)amine,
ethyl 4-(benzo[d]thiazol-6-ylamino)benzoate,
CTK8E8086,
DTXSID50654193,
ZINC2527489,
MFCD04115333,
AB0077949,
AX8141324,
RT-014128,
A-2454,
Ethyl 4-[(1,3-benzothiazol-6-yl)amino]benzoate,
4-(benzothiazol-6-ylamino)-benzoic acid ethyl ester,
A12974,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.36g/mol |
| Monoisotopic Mass | 298.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number