Carbonochloridodithioic acid, trifluoromethyl ester
TL;DR: Carbonochloridodithioic acid, trifluoromethyl ester (CAS 1540-66-5) is a chemical compound with molecular formula C(=S)(SC(F)(F)F)Cl and molecular weight 179.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trifluoromethyl chloromethanedithioate
Also Known As: Carbonochloridodithioic acid, trifluoromethyl ester, trifluoromethyl chloromethanedithioate, Trifluoromethyl carbonochloridodithioate, RefChem:333517
| Molecular Formula | C(=S)(SC(F)(F)F)Cl |
|---|---|
| Molecular Weight | 179.91 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.9082 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 1540-66-5 |
|---|---|
| SMILES | C(=S)(SC(F)(F)F)Cl |
| InChIKey | PDNJTPCDAYCMCK-UHFFFAOYSA-N |
Product Overview
Carbonochloridodithioic acid, trifluoromethyl ester (CAS 1540-66-5), with molecular formula C(=S)(SC(F)(F)F)Cl and molecular weight 179.91 g/mol. IUPAC: trifluoromethyl chloromethanedithioate.
Chemical Property Profile of Carbonochloridodithioic acid, trifluoromethyl ester
Property Insights of Carbonochloridodithioic acid, trifluoromethyl ester
The XLogP value of 3.5 indicates that Carbonochloridodithioic acid, trifluoromethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Carbonochloridodithioic acid, trifluoromethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonochloridodithioic acid, trifluoromethyl ester 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 Carbonochloridodithioic acid, trifluoromethyl ester?
The CAS number of Carbonochloridodithioic acid, trifluoromethyl ester is 1540-66-5.
What is the molecular formula of Carbonochloridodithioic acid, trifluoromethyl ester?
The molecular formula of Carbonochloridodithioic acid, trifluoromethyl ester is C(=S)(SC(F)(F)F)Cl.
What is the molecular weight of Carbonochloridodithioic acid, trifluoromethyl ester?
The molecular weight of Carbonochloridodithioic acid, trifluoromethyl ester is 179.91 g/mol.
Where can I buy Carbonochloridodithioic acid, trifluoromethyl ester?
You can request a quote for Carbonochloridodithioic acid, trifluoromethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonochloridodithioic acid, trifluoromethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonochloridodithioic acid, trifluoromethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.