Carbonodithioic acid, O-(1,1-dimethylethyl) ester
TL;DR: Carbonodithioic acid, O-(1,1-dimethylethyl) ester (CAS 7250-06-8) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylpropan-2-yl)oxymethanedithioic acid
Also Known As: tert-butoxymethanedithioic acid, Dithiocarbonic acid O-tert-butyl ester, O-tert-butyl hydrogen carbonodithioate, TERT-BUTYL SULFANYLMETHANETHIOATE, O-tert-butyl S-hydrogen carbonodithioate
| Molecular Formula | C5H10OS2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 7250-06-8 |
|---|---|
| SMILES | CC(C)(C)OC(=S)S |
| InChIKey | CZEUIGJHCVIWLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonodithioic acid, O-(1,1-dimethylethyl) ester (CAS 7250-06-8), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: (2-methylpropan-2-yl)oxymethanedithioic acid.
Chemical Property Profile of Carbonodithioic acid, O-(1,1-dimethylethyl) ester
Property Insights of Carbonodithioic acid, O-(1,1-dimethylethyl) ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonodithioic acid, O-(1,1-dimethylethyl) ester. With a topological polar surface area (TPSA) of 42.3 Ų, Carbonodithioic acid, O-(1,1-dimethylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonodithioic acid, O-(1,1-dimethylethyl) ester has 1 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, O-(1,1-dimethylethyl) ester?
The CAS number of Carbonodithioic acid, O-(1,1-dimethylethyl) ester is 7250-06-8.
What is the molecular formula of Carbonodithioic acid, O-(1,1-dimethylethyl) ester?
The molecular formula of Carbonodithioic acid, O-(1,1-dimethylethyl) ester is C5H10OS2.
What is the molecular weight of Carbonodithioic acid, O-(1,1-dimethylethyl) ester?
The molecular weight of Carbonodithioic acid, O-(1,1-dimethylethyl) ester is 150.02 g/mol.
Where can I buy Carbonodithioic acid, O-(1,1-dimethylethyl) ester?
You can request a quote for Carbonodithioic acid, O-(1,1-dimethylethyl) 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, O-(1,1-dimethylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonodithioic acid, O-(1,1-dimethylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.