| CAS Number | 58280-31-2 |
| Catalog Number | AG00IMCV(AGN-PC-0SPH2P) |
| Chemical Name | Zinc, bis[2-(2-benzothiazolyl-kN3)phenolato-kO]-, (T-4)- |
| IUPAC Name | 2-(1,3-benzothiazol-2-yl)phenol;zinc |
| InChI | InChI=1S/2C13H9NOS.Zn/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H; |
| InChI Key | XANIFASCQKHXRC-UHFFFAOYSA-N |
| MDL Number | MFCD03844766 |
| Molecular Formula | C26H16N2O2S2Zn |
| Molecular Weight | 517.9274 |
| SMILES | C1([O-][Zn+2]2([O-]C3=C(C4=[N]2C5=C(C=CC=C5)S4)C=CC=C3)[N]6=C7SC8=C6C=CC=C8)=C7C=CC=C1 |
| Synonyms | Zn(BTZ)2,
58280-31-2,
Bis[2-(2-benzothiazolyl)phenolato]zinc(II),
Bis[2-(2-benzothiazoly)phenolato]zinc(II),
C26H16N2O2S2Zn,
MFCD03844766,
AKOS005145809,
280B312,
Bis[2-(2-benzothiazolyl-N3)phenolato-O]zinc, 99%,
I06-1739,
Bis[2-(2-benzothiazolyl)phenolato]zinc(II), 98% - 1G 1g,
|
| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 518.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 519.942g/mol |
| Monoisotopic Mass | 518.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number