1-butanethiol, sodium salt
TL;DR: 1-butanethiol, sodium salt (CAS 4779-86-6) 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 butane-1-thiolate
Also Known As: Sodium 1-butanethiolate, sodium;butane-1-thiolate, sodium butane-1-thiolate, sodium thiobutoxide, 1-Butanethiol, sodium salt
| Molecular Formula | C4H9NaS |
|---|---|
| Molecular Weight | 112.03 g/mol |
| LogP | -1.6626 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.032265 |
| Heavy Atoms | 6 |
| Complexity | 15.01955 |
Chemical Identifiers
| CAS Number | 4779-86-6 |
|---|---|
| SMILES | CCCC[S-].[Na+] |
Product Overview
1-butanethiol, sodium salt (CAS 4779-86-6), with molecular formula C4H9NaS and molecular weight 112.03 g/mol. IUPAC: sodium butane-1-thiolate.
Chemical Property Profile of 1-butanethiol, sodium salt
Property Insights of 1-butanethiol, sodium salt
The XLogP value of -1.6626 indicates that 1-butanethiol, sodium salt 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, 1-butanethiol, sodium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butanethiol, sodium salt 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 1-butanethiol, sodium salt?
The CAS number of 1-butanethiol, sodium salt is 4779-86-6.
What is the molecular formula of 1-butanethiol, sodium salt?
The molecular formula of 1-butanethiol, sodium salt is C4H9NaS.
What is the molecular weight of 1-butanethiol, sodium salt?
The molecular weight of 1-butanethiol, sodium salt is 112.03 g/mol.
Where can I buy 1-butanethiol, sodium salt?
You can request a quote for 1-butanethiol, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butanethiol, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1-butanethiol, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.