O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate
TL;DR: O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate (CAS 22543-16-4) is a chemical compound with molecular formula C10H14O2S4 and molecular weight 293.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate
Also Known As: O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate, O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethane, S,S'-But-2-yne-1,4-diyl O,O'-diethyl biscarbonodithioate
| Molecular Formula | C10H14O2S4 |
|---|---|
| Molecular Weight | 293.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.98767 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 22543-16-4 |
|---|---|
| SMILES | CCOC(=S)SCC#CCSC(=S)OCC |
| InChIKey | OAYBEVDGYPVTLJ-UHFFFAOYSA-N |
Product Overview
O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate (CAS 22543-16-4), with molecular formula C10H14O2S4 and molecular weight 293.99 g/mol. IUPAC: O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate.
Chemical Property Profile of O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate
Property Insights of O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate
The XLogP value of 3.9 indicates that O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate. Following Lipinski's Rule of Five, O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate 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 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate?
The CAS number of O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate is 22543-16-4.
What is the molecular formula of O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate?
The molecular formula of O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate is C10H14O2S4.
What is the molecular weight of O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate?
The molecular weight of O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate is 293.99 g/mol.
Where can I buy O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate?
You can request a quote for O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 4-ethoxycarbothioylsulfanylbut-2-ynylsulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.