Trifluoromethyl isopropyl disulfide
TL;DR: Trifluoromethyl isopropyl disulfide (CAS 145372-21-0) is a chemical compound with molecular formula C4H7F3S2 and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyldisulfanyl)propane
Also Known As: Trifluoromethyl isopropyl disulfide, 2-(trifluoromethyldisulfanyl)propane, Disulfide,1-methylethyl trifluoromethyl (9CI), 2-[(Trifluoromethyl)disulfanyl]propane, 2-[(Trifluoromethyl)disulfanyl]propane #
| Molecular Formula | C4H7F3S2 |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.99413 |
| Heavy Atoms | 9 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 145372-21-0 |
|---|---|
| SMILES | CC(C)SSC(F)(F)F |
| InChIKey | DUOCZXQKHSWHAQ-UHFFFAOYSA-N |
Product Overview
Trifluoromethyl isopropyl disulfide (CAS 145372-21-0), with molecular formula C4H7F3S2 and molecular weight 175.99 g/mol. IUPAC: 2-(trifluoromethyldisulfanyl)propane.
Chemical Property Profile of Trifluoromethyl isopropyl disulfide
Property Insights of Trifluoromethyl isopropyl disulfide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoromethyl isopropyl disulfide. With a topological polar surface area (TPSA) of 50.6 Ų, Trifluoromethyl isopropyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoromethyl isopropyl disulfide has 0 hydrogen bond donor(s) and 5 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 Trifluoromethyl isopropyl disulfide?
The CAS number of Trifluoromethyl isopropyl disulfide is 145372-21-0.
What is the molecular formula of Trifluoromethyl isopropyl disulfide?
The molecular formula of Trifluoromethyl isopropyl disulfide is C4H7F3S2.
What is the molecular weight of Trifluoromethyl isopropyl disulfide?
The molecular weight of Trifluoromethyl isopropyl disulfide is 175.99 g/mol.
Where can I buy Trifluoromethyl isopropyl disulfide?
You can request a quote for Trifluoromethyl isopropyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoromethyl isopropyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Trifluoromethyl isopropyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.