o-Ethyl s-prop-2-yn-1-yl carbonodithioate
TL;DR: o-Ethyl s-prop-2-yn-1-yl carbonodithioate (CAS 68134-17-8) is a chemical compound with molecular formula C6H8OS2 and molecular weight 160.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl prop-2-ynylsulfanylmethanethioate
Also Known As: o-ethyl s-prop-2-yn-1-yl carbonodithioate, O-ethyl-S-prop-2-ynyl carbonodithioate, O-ethyl prop-2-ynylsulfanylmethanethioate, O-Ethyl S-(prop-2-yn-1-yl) carbonodithioate
| Molecular Formula | C6H8OS2 |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.00166 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 68134-17-8 |
|---|---|
| SMILES | CCOC(=S)SCC#C |
| InChIKey | UFMCJLZXGRCLIN-UHFFFAOYSA-N |
Product Overview
o-Ethyl s-prop-2-yn-1-yl carbonodithioate (CAS 68134-17-8), with molecular formula C6H8OS2 and molecular weight 160.00 g/mol. IUPAC: O-ethyl prop-2-ynylsulfanylmethanethioate.
Chemical Property Profile of o-Ethyl s-prop-2-yn-1-yl carbonodithioate
Property Insights of o-Ethyl s-prop-2-yn-1-yl carbonodithioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Ethyl s-prop-2-yn-1-yl carbonodithioate. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Ethyl s-prop-2-yn-1-yl carbonodithioate. Following Lipinski's Rule of Five, o-Ethyl s-prop-2-yn-1-yl carbonodithioate has 0 hydrogen bond donor(s) and 3 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-prop-2-yn-1-yl carbonodithioate?
The CAS number of o-Ethyl s-prop-2-yn-1-yl carbonodithioate is 68134-17-8.
What is the molecular formula of o-Ethyl s-prop-2-yn-1-yl carbonodithioate?
The molecular formula of o-Ethyl s-prop-2-yn-1-yl carbonodithioate is C6H8OS2.
What is the molecular weight of o-Ethyl s-prop-2-yn-1-yl carbonodithioate?
The molecular weight of o-Ethyl s-prop-2-yn-1-yl carbonodithioate is 160.00 g/mol.
Where can I buy o-Ethyl s-prop-2-yn-1-yl carbonodithioate?
You can request a quote for o-Ethyl s-prop-2-yn-1-yl carbonodithioate 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-prop-2-yn-1-yl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl s-prop-2-yn-1-yl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.