Trichloromethyl allyl perthioxanthate
TL;DR: Trichloromethyl allyl perthioxanthate (CAS 64057-58-5) is a chemical compound with molecular formula C5H5Cl3S3 and molecular weight 265.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enylsulfanyl(trichloromethylsulfanyl)methanethione
Also Known As: Trichloromethyl allyl perthioxanthate, Perthioxanthate, trichloromethyl allyl, CARBONOTRITHIOIC ACID, 2-PROPENYLTRICHLOROMETHYL ESTER, Prop-2-en-1-yl trichloromethyl carbonotrithioate, prop-2-enylsulfanyl(trichloromethylsulfanyl)methanethione
| Molecular Formula | C5H5Cl3S3 |
|---|---|
| Molecular Weight | 265.86 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.8619 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 64057-58-5 |
|---|---|
| SMILES | C=CCSC(=S)SC(Cl)(Cl)Cl |
| InChIKey | YIAUQSKJQIDQQA-UHFFFAOYSA-N |
Product Overview
Trichloromethyl allyl perthioxanthate (CAS 64057-58-5), with molecular formula C5H5Cl3S3 and molecular weight 265.86 g/mol. IUPAC: prop-2-enylsulfanyl(trichloromethylsulfanyl)methanethione.
Chemical Property Profile of Trichloromethyl allyl perthioxanthate
Property Insights of Trichloromethyl allyl perthioxanthate
The XLogP value of 4.8 indicates that Trichloromethyl allyl perthioxanthate 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 Trichloromethyl allyl perthioxanthate. Following Lipinski's Rule of Five, Trichloromethyl allyl perthioxanthate has 0 hydrogen bond donor(s) and 3 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 Trichloromethyl allyl perthioxanthate?
The CAS number of Trichloromethyl allyl perthioxanthate is 64057-58-5.
What is the molecular formula of Trichloromethyl allyl perthioxanthate?
The molecular formula of Trichloromethyl allyl perthioxanthate is C5H5Cl3S3.
What is the molecular weight of Trichloromethyl allyl perthioxanthate?
The molecular weight of Trichloromethyl allyl perthioxanthate is 265.86 g/mol.
Where can I buy Trichloromethyl allyl perthioxanthate?
You can request a quote for Trichloromethyl allyl perthioxanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloromethyl allyl perthioxanthate?
Yes, KEHONG BIO provides custom synthesis services for Trichloromethyl allyl perthioxanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.