Carbonotrithioic acid, bis(trifluoromethyl) ester
TL;DR: Carbonotrithioic acid, bis(trifluoromethyl) ester (CAS 461-08-5) is a chemical compound with molecular formula C3F6S3 and molecular weight 245.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(trifluoromethylsulfanyl)methanethione
Also Known As: Carbonotrithioic acid, bis(trifluoromethyl) ester, HELIOTROPYL ISO-BUTYRATE, bis(trifluoromethylsulfanyl)methanethione, bis(trifluoromethyl) carbonotrithioate, Bis(trifluoromethyl) trithiocarbonate #
| Molecular Formula | C3F6S3 |
|---|---|
| Molecular Weight | 245.91 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.90663 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 461-08-5 |
|---|---|
| SMILES | C(=S)(SC(F)(F)F)SC(F)(F)F |
| InChIKey | BHLMOIFXVOEGPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonotrithioic acid, bis(trifluoromethyl) ester (CAS 461-08-5), with molecular formula C3F6S3 and molecular weight 245.91 g/mol. IUPAC: bis(trifluoromethylsulfanyl)methanethione.
Chemical Property Profile of Carbonotrithioic acid, bis(trifluoromethyl) ester
Property Insights of Carbonotrithioic acid, bis(trifluoromethyl) ester
The XLogP value of 4.6 indicates that Carbonotrithioic acid, bis(trifluoromethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonotrithioic acid, bis(trifluoromethyl) ester. Following Lipinski's Rule of Five, Carbonotrithioic acid, bis(trifluoromethyl) ester has 0 hydrogen bond donor(s) and 9 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 Carbonotrithioic acid, bis(trifluoromethyl) ester?
The CAS number of Carbonotrithioic acid, bis(trifluoromethyl) ester is 461-08-5.
What is the molecular formula of Carbonotrithioic acid, bis(trifluoromethyl) ester?
The molecular formula of Carbonotrithioic acid, bis(trifluoromethyl) ester is C3F6S3.
What is the molecular weight of Carbonotrithioic acid, bis(trifluoromethyl) ester?
The molecular weight of Carbonotrithioic acid, bis(trifluoromethyl) ester is 245.91 g/mol.
Where can I buy Carbonotrithioic acid, bis(trifluoromethyl) ester?
You can request a quote for Carbonotrithioic acid, bis(trifluoromethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonotrithioic acid, bis(trifluoromethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonotrithioic acid, bis(trifluoromethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.