Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester
TL;DR: Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester (CAS 65573-05-9) is a chemical compound with molecular formula C8H14O3S2 and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl butan-2-yloxycarbothioylsulfanylformate
Also Known As: tert-Butyl ethyl thiodicarbonate, sec-Butyl xanthogen ethyl formate, o-butan-2-yl o-ethyl dithiodicarbonate, ethyl butan-2-yloxycarbothioylsulfanylformate, O-(Butan-2-yl) O-ethyl dithiodicarbonate
| Molecular Formula | C8H14O3S2 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.03844 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 65573-05-9 |
|---|---|
| SMILES | CCC(C)OC(=S)SC(=O)OCC |
| InChIKey | CXOXIEFOOJUUFV-UHFFFAOYSA-N |
Product Overview
Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester (CAS 65573-05-9), with molecular formula C8H14O3S2 and molecular weight 222.04 g/mol. IUPAC: ethyl butan-2-yloxycarbothioylsulfanylformate.
Chemical Property Profile of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester
Property Insights of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester
The XLogP value of 3.5 indicates that Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester. Following Lipinski's Rule of Five, Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester has 0 hydrogen bond donor(s) and 5 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 Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester?
The CAS number of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester is 65573-05-9.
What is the molecular formula of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester?
The molecular formula of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester is C8H14O3S2.
What is the molecular weight of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester?
The molecular weight of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester is 222.04 g/mol.
Where can I buy Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester?
You can request a quote for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.