| CAS Number | 1629-68-1 |
| Catalog Number | AG01DVSD(AGN-PC-0Q8D4Q) |
| Chemical Name | (1,3-benzothiazol-2-yl)(phenyl)methanamine |
| IUPAC Name | 1,3-benzothiazol-2-yl(phenyl)methanamine |
| InChI | InChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2 |
| InChI Key | LCUXOKKXLIBQKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09927635 |
| Molecular Formula | C14H12N2S |
| Molecular Weight | 240.3235 |
| SMILES | NC(C1=CC=CC=C1)C1SC2=C(C=CC=C2)N=1 |
| Synonyms | 2-(a-aminobenzyl) benzothiazole,
SCHEMBL10857871,
2(alpha-aminobenzyl)benzothiazole,
LCUXOKKXLIBQKQ-UHFFFAOYSA-N,
2-(alpha-aminobenzyl)-benzothiazole,
AKOS000167710,
MCULE-4261192272,
1,3-benzothiazol-2-yl(phenyl)methanamine,
1629-68-1,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number