Trichloromethyl methyl perthioxanthate
TL;DR: Trichloromethyl methyl perthioxanthate (CAS 25991-93-9) is a chemical compound with molecular formula C3H3Cl3OS3 and molecular weight 255.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl (trichloromethyldisulfanyl)methanethioate
Also Known As: Trichloromethyl methyl perthioxanthate, Perthioxanthate, trichloromethyl methyl, Methyl trichloromethyl carbonotrithioate, CARBONOTRITHIOIC ACID, METHYL TRICHLOROMETHYL ESTER, trichloro[(methoxycarbothioyl)disulfanyl]methane
| Molecular Formula | C3H3Cl3OS3 |
|---|---|
| Molecular Weight | 255.84 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.84116 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 25991-93-9 |
|---|---|
| SMILES | COC(=S)SSC(Cl)(Cl)Cl |
| InChIKey | PPQNAIIXJVODIW-UHFFFAOYSA-N |
Product Overview
Trichloromethyl methyl perthioxanthate (CAS 25991-93-9), with molecular formula C3H3Cl3OS3 and molecular weight 255.84 g/mol. IUPAC: O-methyl (trichloromethyldisulfanyl)methanethioate.
Chemical Property Profile of Trichloromethyl methyl perthioxanthate
Property Insights of Trichloromethyl methyl perthioxanthate
The XLogP value of 3.6 indicates that Trichloromethyl methyl perthioxanthate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichloromethyl methyl perthioxanthate. Following Lipinski's Rule of Five, Trichloromethyl methyl perthioxanthate has 0 hydrogen bond donor(s) and 4 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 methyl perthioxanthate?
The CAS number of Trichloromethyl methyl perthioxanthate is 25991-93-9.
What is the molecular formula of Trichloromethyl methyl perthioxanthate?
The molecular formula of Trichloromethyl methyl perthioxanthate is C3H3Cl3OS3.
What is the molecular weight of Trichloromethyl methyl perthioxanthate?
The molecular weight of Trichloromethyl methyl perthioxanthate is 255.84 g/mol.
Where can I buy Trichloromethyl methyl perthioxanthate?
You can request a quote for Trichloromethyl methyl perthioxanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloromethyl methyl perthioxanthate?
Yes, KEHONG BIO provides custom synthesis services for Trichloromethyl methyl perthioxanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.