1,2-Bis(benzylsulfanyl)ethene
TL;DR: 1,2-Bis(benzylsulfanyl)ethene (CAS 53959-54-9) 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.
2-benzylsulfanylethenylsulfanylmethylbenzene
Also Known As: 1,2-bis(benzylsulfanyl)ethene, cis-1,2-Bis-benzylthioethylene, 4-(benzyloxycarbonyl)-2-azetidinone, 2-benzylsulfanylethenylsulfanylmethylbenzene, [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene
| Molecular Formula | C16H16S2 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.06934 |
| Heavy Atoms | 18 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 53959-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC=CSCC2=CC=CC=C2 |
| InChIKey | RZVCNFNSLCXUMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(benzylsulfanyl)ethene (CAS 53959-54-9), with molecular formula C16H16S2 and molecular weight 272.07 g/mol. IUPAC: 2-benzylsulfanylethenylsulfanylmethylbenzene.
Chemical Property Profile of 1,2-Bis(benzylsulfanyl)ethene
Property Insights of 1,2-Bis(benzylsulfanyl)ethene
The XLogP value of 4.5 indicates that 1,2-Bis(benzylsulfanyl)ethene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,2-Bis(benzylsulfanyl)ethene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(benzylsulfanyl)ethene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Bis(benzylsulfanyl)ethene?
The CAS number of 1,2-Bis(benzylsulfanyl)ethene is 53959-54-9.
What is the molecular formula of 1,2-Bis(benzylsulfanyl)ethene?
The molecular formula of 1,2-Bis(benzylsulfanyl)ethene is C16H16S2.
What is the molecular weight of 1,2-Bis(benzylsulfanyl)ethene?
The molecular weight of 1,2-Bis(benzylsulfanyl)ethene is 272.07 g/mol.
Where can I buy 1,2-Bis(benzylsulfanyl)ethene?
You can request a quote for 1,2-Bis(benzylsulfanyl)ethene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(benzylsulfanyl)ethene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(benzylsulfanyl)ethene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.