Isothioate
TL;DR: Isothioate (CAS 36614-38-7) is a chemical compound with molecular formula C7H17O2PS3 and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: Hosdon, Hosalon, Isothionate, Hodson, Hosdon granule
| Molecular Formula | C7H17O2PS3 |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.01282 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 36614-38-7 |
|---|---|
| SMILES | CC(C)SCCSP(=S)(OC)OC |
| InChIKey | SPCNPOWOBZQWJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isothioate (CAS 36614-38-7), with molecular formula C7H17O2PS3 and molecular weight 260.01 g/mol. IUPAC: dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Isothioate
Property Insights of Isothioate
The XLogP value of 3.1 indicates that Isothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isothioate. Following Lipinski's Rule of Five, Isothioate 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 Isothioate?
The CAS number of Isothioate is 36614-38-7.
What is the molecular formula of Isothioate?
The molecular formula of Isothioate is C7H17O2PS3.
What is the molecular weight of Isothioate?
The molecular weight of Isothioate is 260.01 g/mol.
Where can I buy Isothioate?
You can request a quote for Isothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothioate?
Yes, KEHONG BIO provides custom synthesis services for Isothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.