Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester
TL;DR: Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester (CAS 65573-08-2) is a chemical compound with molecular formula C9H16O3S2 and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methylbutan-2-yloxycarbothioylsulfanylformate
Also Known As: Barium cyclohexanesulfamate, Methyl isobutyl xanthogen ethyl formate, barium(2+),N-cyclohexylsulfamate, 3-(1,2-Dimethylpropyl) 1-ethyl thiodicarbonate, o-ethyl o-(3-methylbutan-2-yl) dithiodicarbonate
| Molecular Formula | C9H16O3S2 |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.0541 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 65573-08-2 |
|---|---|
| SMILES | CCOC(=O)SC(=S)OC(C)C(C)C |
| InChIKey | CWPWVEGNUSTIAS-UHFFFAOYSA-N |
Product Overview
Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester (CAS 65573-08-2), with molecular formula C9H16O3S2 and molecular weight 236.05 g/mol. IUPAC: ethyl 3-methylbutan-2-yloxycarbothioylsulfanylformate.
Chemical Property Profile of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester
Property Insights of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester
The XLogP value of 4.0 indicates that Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl 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)), 3-(1,2-dimethylpropyl) 1-ethyl ester. Following Lipinski's Rule of Five, Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl 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)), 3-(1,2-dimethylpropyl) 1-ethyl ester?
The CAS number of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester is 65573-08-2.
What is the molecular formula of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester?
The molecular formula of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester is C9H16O3S2.
What is the molecular weight of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester?
The molecular weight of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester is 236.05 g/mol.
Where can I buy Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester?
You can request a quote for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl 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)), 3-(1,2-dimethylpropyl) 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-(1,2-dimethylpropyl) 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.