TL;DR: Aniline, 2,2'-(2-butenylenedithio)di-, (E)- (CAS 13514-68-6) is a chemical compound with molecular formula C16H18N2S2 and molecular weight 302.09116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-4-(2-aminophenyl)sulfanylbut-2-enyl]sulfanylaniline
Also Known As: Cyto2E11, Aniline, 2,2'-(2-butenylenedithio)di-, (E)-, Aniline, 2,2a(2)-(2-butenylenedithio)di-, (E)-, 2,2'-[(2E)-But-2-ene-1,4-diylbis(sulfanediyl)]dianiline, 2-[(E)-4-(2-aminophenyl)sulfanylbut-2-enyl]sulfanylaniline
| Molecular Formula | C16H18N2S2 |
| Molecular Weight | 302.09116 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.09116 Da |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
| SMILES | C1=CC=C(C(=C1)N)SC/C=C/CSC2=CC=CC=C2N |
| InChIKey | UCNFATXJXCQPNN-AATRIKPKSA-N |
The XLogP value of 3.6 indicates that Aniline, 2,2'-(2-butenylenedithio)di-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline, 2,2'-(2-butenylenedithio)di-, (E)-. Following Lipinski's Rule of Five, Aniline, 2,2'-(2-butenylenedithio)di-, (E)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Aniline, 2,2'-(2-butenylenedithio)di-, (E)- is 13514-68-6.
The molecular formula of Aniline, 2,2'-(2-butenylenedithio)di-, (E)- is C16H18N2S2.
The molecular weight of Aniline, 2,2'-(2-butenylenedithio)di-, (E)- is 302.09116 g/mol.
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