Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester
TL;DR: Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester (CAS 67969-80-6) is a chemical compound with molecular formula C7H12O3S2 and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl propan-2-yloxycarbothioylsulfanylformate
Also Known As: o-ethyl o-propan-2-yl dithiodicarbonate, ethyl propan-2-yloxycarbothioylsulfanylformate, O-Ethyl O-(propan-2-yl) dithiodicarbonate, Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 1-ethyl 3-(1-methylethyl) ester, J1.258.276E
| Molecular Formula | C7H12O3S2 |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.02278 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 67969-80-6 |
|---|---|
| SMILES | CCOC(=O)SC(=S)OC(C)C |
| InChIKey | PMSBCOOHHFLFFZ-UHFFFAOYSA-N |
Product Overview
Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester (CAS 67969-80-6), with molecular formula C7H12O3S2 and molecular weight 208.02 g/mol. IUPAC: ethyl propan-2-yloxycarbothioylsulfanylformate.
Chemical Property Profile of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester
Property Insights of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester
The XLogP value of 3.0 indicates that Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) 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)), OC-ethyl oC'-(1-methylethyl) ester. Following Lipinski's Rule of Five, Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) 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)), OC-ethyl oC'-(1-methylethyl) ester?
The CAS number of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester is 67969-80-6.
What is the molecular formula of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester?
The molecular formula of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester is C7H12O3S2.
What is the molecular weight of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester?
The molecular weight of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester is 208.02 g/mol.
Where can I buy Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester?
You can request a quote for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(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 Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC-ethyl oC'-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.