O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate
TL;DR: O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate (CAS 70519-66-3) is a chemical compound with molecular formula C7H15O3PS3 and molecular weight 273.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfanyl]acetate
Also Known As: NIOSH/TA7647500, O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate, 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester, 4-sulfide, 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4-sulfide, Acetic acid, mercaptomethylthio-, methyl ester, ester with O-ethyl methylphosphonodithioate
| Molecular Formula | C7H15O3PS3 |
|---|---|
| Molecular Weight | 273.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.9921 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 70519-66-3 |
|---|---|
| SMILES | CCOP(=S)(C)SCSCC(=O)OC |
| InChIKey | LUDKHDFIHVOJPR-UHFFFAOYSA-N |
Product Overview
O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate (CAS 70519-66-3), with molecular formula C7H15O3PS3 and molecular weight 273.99 g/mol. IUPAC: methyl 2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate
Property Insights of O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate. Following Lipinski's Rule of Five, O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate has 0 hydrogen bond donor(s) and 6 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 O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate?
The CAS number of O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate is 70519-66-3.
What is the molecular formula of O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate?
The molecular formula of O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate is C7H15O3PS3.
What is the molecular weight of O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate?
The molecular weight of O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate is 273.99 g/mol.
Where can I buy O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate?
You can request a quote for O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.