| CAS Number | 55699-64-4 |
| Catalog Number | AG003EQX(AGN-PC-03Y5QN) |
| Chemical Name | 3-(BENZO[D]THIAZOL-2-YL)-2,5-DIPHENYL-2H-TETRAZOL-3-IUM BROMIDE |
| IUPAC Name | 2-(3,5-diphenyltetrazol-2-ium-2-yl)-1,3-benzothiazole;bromide |
| InChI | InChI=1S/C20H14N5S.BrH/c1-3-9-15(10-4-1)19-22-24(16-11-5-2-6-12-16)25(23-19)20-21-17-13-7-8-14-18(17)26-20;/h1-14H;1H/q+1;/p-1 |
| InChI Key | BSDDIVAXZYQIKN-UHFFFAOYSA-M |
| MDL Number | MFCD00135111 |
| Molecular Formula | C20H14BrN5S |
| Molecular Weight | 436.3277 |
| SMILES | [Br-].S1C2=CC=CC=C2N=C1[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | 55699-64-4,
3-(Benzo[d]thiazol-2-yl)-2,5-diphenyl-2H-tetrazol-3-ium bromide,
2-(2-Benzothiazolyl)-3,5-diphenyltetrazoliumbromide,
SCHEMBL3345932,
KS-0000139P,
B0333,
2-(benzo[d]thiazol-2-yl)-3,5-diphenyl-2H-tetrazol-3-ium bromide,
2-(2-Benzothiazolyl)-3,5-diphenyltetrazolium Bromide,
CID9803057,
2- -3,5-DIPHENYLTETRAZOLIUMBROMIDE,
2-(3,5-diphenyl-1,3,4-triaza-2-azoniacyclopenta-1,4-dien-2-yl)benzothiazole Bromide,
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| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.01533g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.3g/mol |
| Monoisotopic Mass | 435.01533g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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