2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile
TL;DR: 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile (CAS 399557-64-3) is a chemical compound with molecular formula C6H4F3NS2 and molecular weight 210.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile
Also Known As: 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile, 2-[1,3]Dithiolan-2-ylidene-3,3,3-trifluoro-propionitrile, 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile #
| Molecular Formula | C6H4F3NS2 |
|---|---|
| Molecular Weight | 210.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.97372 |
| Heavy Atoms | 12 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 399557-64-3 |
|---|---|
| SMILES | C1CSC(=C(C#N)C(F)(F)F)S1 |
| InChIKey | PXSDCKLBXJZIHN-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile (CAS 399557-64-3), with molecular formula C6H4F3NS2 and molecular weight 210.97 g/mol. IUPAC: 2-(1,3-dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile.
Chemical Property Profile of 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile
Property Insights of 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile. Following Lipinski's Rule of Five, 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile has 0 hydrogen bond donor(s) and 6 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 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile?
The CAS number of 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile is 399557-64-3.
What is the molecular formula of 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile?
The molecular formula of 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile is C6H4F3NS2.
What is the molecular weight of 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile?
The molecular weight of 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile is 210.97 g/mol.
Where can I buy 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile?
You can request a quote for 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithiolan-2-ylidene)-3,3,3-trifluoropropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.