Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester
TL;DR: Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester (CAS 38379-93-0) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl ethylsulfanylmethanethioate
Also Known As: S-Ethyl o-isopropyl dithiocarbonate, DithiocarbonicacidS-ethylO-isopropylester, S-Ethyl o-isopropyl dithiocarbonate #, O-propan-2-yl ethylsulfanylmethanethioate, Dithiocarbonic acid S-ethyl O-isopropyl ester
| Molecular Formula | C6H12OS2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.03296 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 38379-93-0 |
|---|---|
| SMILES | CCSC(=S)OC(C)C |
| InChIKey | FZWPRGCPLDOYAA-UHFFFAOYSA-N |
Product Overview
Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester (CAS 38379-93-0), with molecular formula C6H12OS2 and molecular weight 164.03 g/mol. IUPAC: O-propan-2-yl ethylsulfanylmethanethioate.
Chemical Property Profile of Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester
Property Insights of Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester. Following Lipinski's Rule of Five, Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester 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 Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester?
The CAS number of Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester is 38379-93-0.
What is the molecular formula of Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester?
The molecular formula of Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester is C6H12OS2.
What is the molecular weight of Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester?
The molecular weight of Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester is 164.03 g/mol.
Where can I buy Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester?
You can request a quote for Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.