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Aniline, 2,2'-(2-butenylenedithio)di-, (E)- structure
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Aniline, 2,2'-(2-butenylenedithio)di-, (E)-

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

CAS Number
13514-68-6
Molecular Formula
C16H18N2S2
Molecular Weight
302.09116 g/mol
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Technical Specifications

Molecular FormulaC16H18N2S2
Molecular Weight302.09116 g/mol
XLogP3.6
Topological Polar Surface Area (TPSA)103.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds6
Exact Mass302.09116 Da
Heavy Atoms20
Complexity268.0
SMILESC1=CC=C(C(=C1)N)SC/C=C/CSC2=CC=CC=C2N
InChIKeyUCNFATXJXCQPNN-AATRIKPKSA-N

Chemical Property Profile of Aniline, 2,2'-(2-butenylenedithio)di-, (E)-

XLogP
3.6
TPSA (Topological Polar Surface Area)
103.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
6
Heavy Atoms
20
Complexity
268.0
Exact Mass
302.09116
Monoisotopic Mass
302.09116
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Aniline, 2,2'-(2-butenylenedithio)di-, (E)-

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.

Frequently Asked Questions

What is the CAS number of Aniline, 2,2'-(2-butenylenedithio)di-, (E)-?

The CAS number of Aniline, 2,2'-(2-butenylenedithio)di-, (E)- is 13514-68-6.

What is the molecular formula of Aniline, 2,2'-(2-butenylenedithio)di-, (E)-?

The molecular formula of Aniline, 2,2'-(2-butenylenedithio)di-, (E)- is C16H18N2S2.

What is the molecular weight of Aniline, 2,2'-(2-butenylenedithio)di-, (E)-?

The molecular weight of Aniline, 2,2'-(2-butenylenedithio)di-, (E)- is 302.09116 g/mol.

Where can I buy Aniline, 2,2'-(2-butenylenedithio)di-, (E)-?

You can request a quote for Aniline, 2,2'-(2-butenylenedithio)di-, (E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Aniline, 2,2'-(2-butenylenedithio)di-, (E)-?

Yes, CoreyChem provides custom synthesis services for Aniline, 2,2'-(2-butenylenedithio)di-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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