O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate
TL;DR: O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate (CAS 65469-83-2) is a chemical compound with molecular formula C9H14O3S4 and molecular weight 297.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate
Also Known As: J3.286.097D, O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate, 1,3-BIS[(ETHOXYMETHANETHIOYL)SULFANYL]PROPAN-2-ONE, Bis(dithiocarbonic acid O-ethyl)2-oxo-1,3-propanediyl ester, O,O'-diethyl S,S'-(2-oxopropane-1,3-diyl) biscarbonodithioate
| Molecular Formula | C9H14O3S4 |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 297.98257 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 65469-83-2 |
|---|---|
| SMILES | CCOC(=S)SCC(=O)CSC(=S)OCC |
| InChIKey | FZJBVFUHQZIOQQ-UHFFFAOYSA-N |
Product Overview
O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate (CAS 65469-83-2), with molecular formula C9H14O3S4 and molecular weight 297.98 g/mol. IUPAC: O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate.
Chemical Property Profile of O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate
Property Insights of O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate
The XLogP value of 3.6 indicates that O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate has 0 hydrogen bond donor(s) and 7 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 (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate?
The CAS number of O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate is 65469-83-2.
What is the molecular formula of O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate?
The molecular formula of O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate is C9H14O3S4.
What is the molecular weight of O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate?
The molecular weight of O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate is 297.98 g/mol.
Where can I buy O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate?
You can request a quote for O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl (3-ethoxycarbothioylsulfanyl-2-oxopropyl)sulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.