| CAS Number | 1152504-14-7 |
| Catalog Number | AG01ACGT |
| Chemical Name | 4-Benzyl-1,3-benzothiazol-2-amine |
| IUPAC Name | 4-benzyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C14H12N2S/c15-14-16-13-11(7-4-8-12(13)17-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,16) |
| InChI Key | OHZLQXODZQFOCE-UHFFFAOYSA-N |
| MDL Number | MFCD10693533 |
| Molecular Formula | C14H12N2S |
| Molecular Weight | 240.3235 |
| SMILES | NC1SC2=C(C(=CC=C2)CC2=CC=CC=C2)N=1 |
| Synonyms | 4-benzyl-1,3-benzothiazol-2-amine,
1152504-14-7,
ZINC34955937,
AKOS005205895,
NE56692,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.324g/mol |
| Monoisotopic Mass | 240.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number