Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)
TL;DR: Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) (CAS 25306-75-6) is a chemical compound with molecular formula C5H10NaOS2+ and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium butan-2-yloxymethanedithioic acid
Also Known As: SODIUM ISOBUTYLXANTHATE, Sodium O-isobutyl dithiocarbonate, sodium sec-butoxymethanedithioic acid, sodium;butan-2-yloxymethanedithioic acid, sodium butan-2-yloxymethanedithioic acid
| Molecular Formula | C5H10NaOS2+ |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | -0.98 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.00708 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 25306-75-6 |
|---|---|
| SMILES | CCC(C)OC(=S)S.[Na+] |
| InChIKey | LRHOHFCSKBRDFH-UHFFFAOYSA-N |
Product Overview
Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) (CAS 25306-75-6), with molecular formula C5H10NaOS2+ and molecular weight 173.01 g/mol. IUPAC: sodium butan-2-yloxymethanedithioic acid.
Chemical Property Profile of Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)
Property Insights of Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)
The XLogP value of -0.98 indicates that Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.3 Ų, Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) 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-(2-methylpropyl) ester, sodium salt (1:1)?
The CAS number of Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) is 25306-75-6.
What is the molecular formula of Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)?
The molecular formula of Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) is C5H10NaOS2+.
What is the molecular weight of Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)?
The molecular weight of Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) is 173.01 g/mol.
Where can I buy Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)?
You can request a quote for Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) 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-(2-methylpropyl) ester, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.