Dithiocarbonic acid S-tert-butyl ester O-ethyl ester
TL;DR: Dithiocarbonic acid S-tert-butyl ester O-ethyl ester (CAS 84380-38-1) is a chemical compound with molecular formula C7H14OS2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl tert-butylsulfanylmethanethioate
Also Known As: (tert-butylsulfanyl)(ethoxy)methanethione, Ethoxy-tert-butylsulfanyl-methanethione, O-ethyl tert-butylsulfanylmethanethioate, J1.442.828C, Dithiocarbonic acid O-ethyl S-tert-butyl ester
| Molecular Formula | C7H14OS2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.8395 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.04861 |
| Heavy Atoms | 10 |
| Complexity | 115.26474 |
Chemical Identifiers
| CAS Number | 84380-38-1 |
|---|---|
| SMILES | CCOC(=S)SC(C)(C)C |
Product Overview
Dithiocarbonic acid S-tert-butyl ester O-ethyl ester (CAS 84380-38-1), with molecular formula C7H14OS2 and molecular weight 178.05 g/mol. IUPAC: O-ethyl tert-butylsulfanylmethanethioate.
Chemical Property Profile of Dithiocarbonic acid S-tert-butyl ester O-ethyl ester
Property Insights of Dithiocarbonic acid S-tert-butyl ester O-ethyl ester
The XLogP value of 2.8395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithiocarbonic acid S-tert-butyl ester O-ethyl ester. With a topological polar surface area (TPSA) of 9.23 Ų, Dithiocarbonic acid S-tert-butyl ester O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiocarbonic acid S-tert-butyl ester O-ethyl 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 Dithiocarbonic acid S-tert-butyl ester O-ethyl ester?
The CAS number of Dithiocarbonic acid S-tert-butyl ester O-ethyl ester is 84380-38-1.
What is the molecular formula of Dithiocarbonic acid S-tert-butyl ester O-ethyl ester?
The molecular formula of Dithiocarbonic acid S-tert-butyl ester O-ethyl ester is C7H14OS2.
What is the molecular weight of Dithiocarbonic acid S-tert-butyl ester O-ethyl ester?
The molecular weight of Dithiocarbonic acid S-tert-butyl ester O-ethyl ester is 178.05 g/mol.
Where can I buy Dithiocarbonic acid S-tert-butyl ester O-ethyl ester?
You can request a quote for Dithiocarbonic acid S-tert-butyl ester O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiocarbonic acid S-tert-butyl ester O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dithiocarbonic acid S-tert-butyl ester O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.