2-(Tert-butylsulfanyl)ethane-1-thiol
TL;DR: 2-(Tert-butylsulfanyl)ethane-1-thiol (CAS 57660-85-2) is a chemical compound with molecular formula C6H14S2 and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfanylethanethiol
Also Known As: 2- ethanethiol, 2-(tert-butylsulfanyl)ethane-1-thiol, 2-(tert-Butylthio)ethanethiol, 2-tert-butylsulfanylethanethiol, 4,4-Dimethyl-3-thia-1-pentanethiol
| Molecular Formula | C6H14S2 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.0537 |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 57660-85-2 |
|---|---|
| SMILES | CC(C)(C)SCCS |
| InChIKey | WBOABOGBRQWNPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Tert-butylsulfanyl)ethane-1-thiol (CAS 57660-85-2), with molecular formula C6H14S2 and molecular weight 150.05 g/mol. IUPAC: 2-tert-butylsulfanylethanethiol.
Chemical Property Profile of 2-(Tert-butylsulfanyl)ethane-1-thiol
Property Insights of 2-(Tert-butylsulfanyl)ethane-1-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylsulfanyl)ethane-1-thiol. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Tert-butylsulfanyl)ethane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butylsulfanyl)ethane-1-thiol 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 2-(Tert-butylsulfanyl)ethane-1-thiol?
The CAS number of 2-(Tert-butylsulfanyl)ethane-1-thiol is 57660-85-2.
What is the molecular formula of 2-(Tert-butylsulfanyl)ethane-1-thiol?
The molecular formula of 2-(Tert-butylsulfanyl)ethane-1-thiol is C6H14S2.
What is the molecular weight of 2-(Tert-butylsulfanyl)ethane-1-thiol?
The molecular weight of 2-(Tert-butylsulfanyl)ethane-1-thiol is 150.05 g/mol.
Where can I buy 2-(Tert-butylsulfanyl)ethane-1-thiol?
You can request a quote for 2-(Tert-butylsulfanyl)ethane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butylsulfanyl)ethane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylsulfanyl)ethane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.