2-((1-Methylethyl)thio)ethanol
TL;DR: 2-((1-Methylethyl)thio)ethanol (CAS 40811-49-2) is a chemical compound with molecular formula C5H12OS and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfanylethanol
Also Known As: 2-(Isopropylthio)ethanol, isopropylthioethanol, 2-propan-2-ylsulfanylethanol, 2- ethanol, 2-Hydroxyethyl isopropyl sulfide
| Molecular Formula | C5H12OS |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.06088 |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 40811-49-2 |
|---|---|
| SMILES | CC(C)SCCO |
| InChIKey | QGONIKZRWOOHBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((1-Methylethyl)thio)ethanol (CAS 40811-49-2), with molecular formula C5H12OS and molecular weight 120.06 g/mol. IUPAC: 2-propan-2-ylsulfanylethanol.
Chemical Property Profile of 2-((1-Methylethyl)thio)ethanol
Property Insights of 2-((1-Methylethyl)thio)ethanol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methylethyl)thio)ethanol. With a topological polar surface area (TPSA) of 45.5 Ų, 2-((1-Methylethyl)thio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-Methylethyl)thio)ethanol 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-((1-Methylethyl)thio)ethanol?
The CAS number of 2-((1-Methylethyl)thio)ethanol is 40811-49-2.
What is the molecular formula of 2-((1-Methylethyl)thio)ethanol?
The molecular formula of 2-((1-Methylethyl)thio)ethanol is C5H12OS.
What is the molecular weight of 2-((1-Methylethyl)thio)ethanol?
The molecular weight of 2-((1-Methylethyl)thio)ethanol is 120.06 g/mol.
Where can I buy 2-((1-Methylethyl)thio)ethanol?
You can request a quote for 2-((1-Methylethyl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Methylethyl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methylethyl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.