1,4-Bis(phenylthio)-2-butene
TL;DR: 1,4-Bis(phenylthio)-2-butene (CAS 6728-08-1) is a chemical compound with molecular formula C16H16S2 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-phenylsulfanylbut-2-enyl]sulfanylbenzene
Also Known As: 1,4-bis(phenylthio)-2-butene, 2-Butene, 1,4-bis(phenylthio)-, (E)-1,4-Bis(phenylthio)-2-butene, [(E)-4-phenylsulfanylbut-2-enyl]sulfanylbenzene, J1.745.392K
| Molecular Formula | C16H16S2 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 5.1272 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.06934 |
| Heavy Atoms | 18 |
| Complexity | 417.47034 |
Chemical Identifiers
| CAS Number | 6728-08-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC/C=C/CSC2=CC=CC=C2 |
Product Overview
1,4-Bis(phenylthio)-2-butene (CAS 6728-08-1), with molecular formula C16H16S2 and molecular weight 272.07 g/mol. IUPAC: [(E)-4-phenylsulfanylbut-2-enyl]sulfanylbenzene.
Chemical Property Profile of 1,4-Bis(phenylthio)-2-butene
Property Insights of 1,4-Bis(phenylthio)-2-butene
The XLogP value of 5.1272 indicates that 1,4-Bis(phenylthio)-2-butene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Bis(phenylthio)-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(phenylthio)-2-butene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Bis(phenylthio)-2-butene?
The CAS number of 1,4-Bis(phenylthio)-2-butene is 6728-08-1.
What is the molecular formula of 1,4-Bis(phenylthio)-2-butene?
The molecular formula of 1,4-Bis(phenylthio)-2-butene is C16H16S2.
What is the molecular weight of 1,4-Bis(phenylthio)-2-butene?
The molecular weight of 1,4-Bis(phenylthio)-2-butene is 272.07 g/mol.
Where can I buy 1,4-Bis(phenylthio)-2-butene?
You can request a quote for 1,4-Bis(phenylthio)-2-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(phenylthio)-2-butene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(phenylthio)-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.