5-(Bis(phenylthio)methyl)-1,3-benzodioxole
TL;DR: 5-(Bis(phenylthio)methyl)-1,3-benzodioxole (CAS 6964-78-9) is a chemical compound with molecular formula C20H16O2S2 and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(phenylsulfanyl)methyl]-1,3-benzodioxole
Also Known As: NCIStruc1_001186, NCIStruc2_001285, 5-(bis(phenylthio)methyl)-1,3-benzodioxole, 5-[bis(phenylsulfanyl)methyl]-1,3-benzodioxole, NCI60_003942
| Molecular Formula | C20H16O2S2 |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.05917 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 6964-78-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(SC3=CC=CC=C3)SC4=CC=CC=C4 |
| InChIKey | CTZRGBQIQAQJIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Bis(phenylthio)methyl)-1,3-benzodioxole (CAS 6964-78-9), with molecular formula C20H16O2S2 and molecular weight 352.06 g/mol. IUPAC: 5-[bis(phenylsulfanyl)methyl]-1,3-benzodioxole.
Chemical Property Profile of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole
Property Insights of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole
The XLogP value of 6.3 indicates that 5-(Bis(phenylthio)methyl)-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Bis(phenylthio)methyl)-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-(Bis(phenylthio)methyl)-1,3-benzodioxole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole?
The CAS number of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole is 6964-78-9.
What is the molecular formula of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole?
The molecular formula of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole is C20H16O2S2.
What is the molecular weight of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole?
The molecular weight of 5-(Bis(phenylthio)methyl)-1,3-benzodioxole is 352.06 g/mol.
Where can I buy 5-(Bis(phenylthio)methyl)-1,3-benzodioxole?
You can request a quote for 5-(Bis(phenylthio)methyl)-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bis(phenylthio)methyl)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bis(phenylthio)methyl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.