3,6-Difluoro-4,5-bisphenylthiophthalonitrile
TL;DR: 3,6-Difluoro-4,5-bisphenylthiophthalonitrile (CAS 25579-67-3) is a chemical compound with molecular formula C20H10F2N2S2 and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-difluoro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile
Also Known As: 3,6-difluoro-4,5-bisphenylthiophthalonitrile, 3,6-Difluor-4,5-bisphenylthiophthalonitril, 3,6-difluoro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile, 3,6-Difluoro-4,5-bis(phenylthio)phthalonitrile, J2.470.228F
| Molecular Formula | C20H10F2N2S2 |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 6.01056 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.02536 |
| Heavy Atoms | 26 |
| Complexity | 939.40735 |
Chemical Identifiers
| CAS Number | 25579-67-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=CC=C3)F)C#N)C#N)F |
Product Overview
3,6-Difluoro-4,5-bisphenylthiophthalonitrile (CAS 25579-67-3), with molecular formula C20H10F2N2S2 and molecular weight 380.03 g/mol. IUPAC: 3,6-difluoro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 3,6-Difluoro-4,5-bisphenylthiophthalonitrile
Property Insights of 3,6-Difluoro-4,5-bisphenylthiophthalonitrile
The XLogP value of 6.01056 indicates that 3,6-Difluoro-4,5-bisphenylthiophthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 3,6-Difluoro-4,5-bisphenylthiophthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Difluoro-4,5-bisphenylthiophthalonitrile 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 3,6-Difluoro-4,5-bisphenylthiophthalonitrile?
The CAS number of 3,6-Difluoro-4,5-bisphenylthiophthalonitrile is 25579-67-3.
What is the molecular formula of 3,6-Difluoro-4,5-bisphenylthiophthalonitrile?
The molecular formula of 3,6-Difluoro-4,5-bisphenylthiophthalonitrile is C20H10F2N2S2.
What is the molecular weight of 3,6-Difluoro-4,5-bisphenylthiophthalonitrile?
The molecular weight of 3,6-Difluoro-4,5-bisphenylthiophthalonitrile is 380.03 g/mol.
Where can I buy 3,6-Difluoro-4,5-bisphenylthiophthalonitrile?
You can request a quote for 3,6-Difluoro-4,5-bisphenylthiophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Difluoro-4,5-bisphenylthiophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Difluoro-4,5-bisphenylthiophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.