Sodium 2-methyl-2-propanethiolate
TL;DR: Sodium 2-methyl-2-propanethiolate (CAS 4081-46-3) is a chemical compound with molecular formula C4H9NaS and molecular weight 112.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-methylpropane-2-thiolate
Also Known As: Sodium 2-methyl-2-propanethiolate, tBuSNa, tert-Butylthiosodium, Sodium tert-butyl sulfide, Sodium tert-butylmercaptide
| Molecular Formula | C4H9NaS |
|---|---|
| Molecular Weight | 112.03 g/mol |
| LogP | -1.6642 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.032265 |
| Heavy Atoms | 6 |
| Complexity | 23.01955 |
Chemical Identifiers
| CAS Number | 4081-46-3 |
|---|---|
| SMILES | CC(C)(C)[S-].[Na+] |
Product Overview
Sodium 2-methyl-2-propanethiolate (CAS 4081-46-3), with molecular formula C4H9NaS and molecular weight 112.03 g/mol. IUPAC: sodium 2-methylpropane-2-thiolate.
Chemical Property Profile of Sodium 2-methyl-2-propanethiolate
Property Insights of Sodium 2-methyl-2-propanethiolate
The XLogP value of -1.6642 indicates that Sodium 2-methyl-2-propanethiolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Sodium 2-methyl-2-propanethiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 2-methyl-2-propanethiolate has 0 hydrogen bond donor(s) and 1 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 Sodium 2-methyl-2-propanethiolate?
The CAS number of Sodium 2-methyl-2-propanethiolate is 4081-46-3.
What is the molecular formula of Sodium 2-methyl-2-propanethiolate?
The molecular formula of Sodium 2-methyl-2-propanethiolate is C4H9NaS.
What is the molecular weight of Sodium 2-methyl-2-propanethiolate?
The molecular weight of Sodium 2-methyl-2-propanethiolate is 112.03 g/mol.
Where can I buy Sodium 2-methyl-2-propanethiolate?
You can request a quote for Sodium 2-methyl-2-propanethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-methyl-2-propanethiolate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-methyl-2-propanethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.