Bis(trifluoromethyl)thioketene
TL;DR: Bis(trifluoromethyl)thioketene (CAS 7445-60-5) is a chemical compound with molecular formula C4F6S and molecular weight 193.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene-1-thione
Also Known As: Bis(trifluoromethyl)thioketene, (CF3)2C=C=S, J2.677.575B, 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene-1-thione, 1-Propene-1-thione, 3,3,3-trifluoro-2-(trifluoromethyl)-
| Molecular Formula | C4F6S |
|---|---|
| Molecular Weight | 193.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.9625 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 7445-60-5 |
|---|---|
| SMILES | C(=C(C(F)(F)F)C(F)(F)F)=S |
| InChIKey | IXCNXWOYJYTCCJ-UHFFFAOYSA-N |
Product Overview
Bis(trifluoromethyl)thioketene (CAS 7445-60-5), with molecular formula C4F6S and molecular weight 193.96 g/mol. IUPAC: 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene-1-thione.
Chemical Property Profile of Bis(trifluoromethyl)thioketene
Property Insights of Bis(trifluoromethyl)thioketene
The XLogP value of 3.3 indicates that Bis(trifluoromethyl)thioketene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.1 Ų, Bis(trifluoromethyl)thioketene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(trifluoromethyl)thioketene has 0 hydrogen bond donor(s) and 7 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 Bis(trifluoromethyl)thioketene?
The CAS number of Bis(trifluoromethyl)thioketene is 7445-60-5.
What is the molecular formula of Bis(trifluoromethyl)thioketene?
The molecular formula of Bis(trifluoromethyl)thioketene is C4F6S.
What is the molecular weight of Bis(trifluoromethyl)thioketene?
The molecular weight of Bis(trifluoromethyl)thioketene is 193.96 g/mol.
Where can I buy Bis(trifluoromethyl)thioketene?
You can request a quote for Bis(trifluoromethyl)thioketene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(trifluoromethyl)thioketene?
Yes, KEHONG BIO provides custom synthesis services for Bis(trifluoromethyl)thioketene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.