| CAS Number | 157522-54-8 |
| Catalog Number | AG001PHK(AGN-PC-0N5XU1) |
| Chemical Name | BENZENE, 1,1',1''-[[(2-BROMOETHYL)THIO]METHYLIDYNE]TRIS- |
| IUPAC Name | [2-bromoethylsulfanyl(diphenyl)methyl]benzene |
| InChI | InChI=1S/C21H19BrS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2 |
| InChI Key | LTIKGYXXFFGAEY-UHFFFAOYSA-N |
| Molecular Formula | C21H19BrS |
| Molecular Weight | 383.3446 |
| SMILES | BrCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Synonyms | SCHEMBL4288415,
ZINC38988464,
Triphenylmethyl(2-bromoethyl) sulfide,
Benzene, 1,1',1''-[[(2-bromoethyl)thio]methylidyne]tris-,
157522-54-8,
CID11047216,
(2-bromoethylsulfanyl-diphenyl-methyl)benzene,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.347g/mol |
| Monoisotopic Mass | 382.039g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number