Methyl pentafluoropropane(dithioate)
TL;DR: Methyl pentafluoropropane(dithioate) (CAS 18977-95-2) is a chemical compound with molecular formula C4H3F5S2 and molecular weight 209.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3,3,3-pentafluoropropanedithioate
Also Known As: methyl pentafluoropropane(dithioate), methyl 2,2,3,3,3-pentafluoropropanedithioate, Pentafluor-dithiopropionsaeure-methylester, Propane(dithioic) acid,2,2,3,3,3-pentafluoro-, methyl ester
| Molecular Formula | C4H3F5S2 |
|---|---|
| Molecular Weight | 209.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.95964 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 18977-95-2 |
|---|---|
| SMILES | CSC(=S)C(C(F)(F)F)(F)F |
| InChIKey | GWPVHDVIMSPDSE-UHFFFAOYSA-N |
Product Overview
Methyl pentafluoropropane(dithioate) (CAS 18977-95-2), with molecular formula C4H3F5S2 and molecular weight 209.96 g/mol. IUPAC: methyl 2,2,3,3,3-pentafluoropropanedithioate.
Chemical Property Profile of Methyl pentafluoropropane(dithioate)
Property Insights of Methyl pentafluoropropane(dithioate)
The XLogP value of 3.0 indicates that Methyl pentafluoropropane(dithioate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Methyl pentafluoropropane(dithioate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pentafluoropropane(dithioate) 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 Methyl pentafluoropropane(dithioate)?
The CAS number of Methyl pentafluoropropane(dithioate) is 18977-95-2.
What is the molecular formula of Methyl pentafluoropropane(dithioate)?
The molecular formula of Methyl pentafluoropropane(dithioate) is C4H3F5S2.
What is the molecular weight of Methyl pentafluoropropane(dithioate)?
The molecular weight of Methyl pentafluoropropane(dithioate) is 209.96 g/mol.
Where can I buy Methyl pentafluoropropane(dithioate)?
You can request a quote for Methyl pentafluoropropane(dithioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pentafluoropropane(dithioate)?
Yes, KEHONG BIO provides custom synthesis services for Methyl pentafluoropropane(dithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.