4-Methoxy-2-methyl-2-butanethiol
TL;DR: 4-Methoxy-2-methyl-2-butanethiol (CAS 94087-83-9) is a chemical compound with molecular formula C6H14OS and molecular weight 134.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-methylbutane-2-thiol
Also Known As: 4-Methoxy-2-methyl-2-butanethiol, 4-Methoxy-2-methylbutane-2-thiol, 2-Butanethiol, 4-methoxy-2-methyl-, 4-methoxy-2-methyl-butane-2-thiol, EINECS 301-977-9
| Molecular Formula | C6H14OS |
|---|---|
| Molecular Weight | 134.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 10.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.07654 |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 94087-83-9 |
|---|---|
| SMILES | CC(C)(CCOC)S |
| InChIKey | XVHGKKGBUDMTIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-2-methyl-2-butanethiol (CAS 94087-83-9), with molecular formula C6H14OS and molecular weight 134.08 g/mol. IUPAC: 4-methoxy-2-methylbutane-2-thiol.
Chemical Property Profile of 4-Methoxy-2-methyl-2-butanethiol
Property Insights of 4-Methoxy-2-methyl-2-butanethiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2-methyl-2-butanethiol. With a topological polar surface area (TPSA) of 10.2 Ų, 4-Methoxy-2-methyl-2-butanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2-methyl-2-butanethiol has 1 hydrogen bond donor(s) and 2 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 4-Methoxy-2-methyl-2-butanethiol?
The CAS number of 4-Methoxy-2-methyl-2-butanethiol is 94087-83-9.
What is the molecular formula of 4-Methoxy-2-methyl-2-butanethiol?
The molecular formula of 4-Methoxy-2-methyl-2-butanethiol is C6H14OS.
What is the molecular weight of 4-Methoxy-2-methyl-2-butanethiol?
The molecular weight of 4-Methoxy-2-methyl-2-butanethiol is 134.08 g/mol.
Where can I buy 4-Methoxy-2-methyl-2-butanethiol?
You can request a quote for 4-Methoxy-2-methyl-2-butanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-2-methyl-2-butanethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2-methyl-2-butanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.