2-(1-Methylethyl)-1,3-oxathiolane
TL;DR: 2-(1-Methylethyl)-1,3-oxathiolane (CAS 17643-70-8) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yl-1,3-oxathiolane
Also Known As: 2-Isopropyl-1,3-oxathiolane, 2-propan-2-yl-1,3-oxathiolane, 2-Isopropyl-1,3-oxothiolane, 2-(Propan-2-yl)-1,3-oxathiolane, 1,3-OXATHIOLANE, 2-ISOPROPYL-
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 17643-70-8 |
|---|---|
| SMILES | CC(C)C1OCCS1 |
| InChIKey | JTGZVABCBHZNLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Methylethyl)-1,3-oxathiolane (CAS 17643-70-8), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: 2-propan-2-yl-1,3-oxathiolane.
Chemical Property Profile of 2-(1-Methylethyl)-1,3-oxathiolane
Property Insights of 2-(1-Methylethyl)-1,3-oxathiolane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methylethyl)-1,3-oxathiolane. With a topological polar surface area (TPSA) of 34.5 Ų, 2-(1-Methylethyl)-1,3-oxathiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylethyl)-1,3-oxathiolane has 0 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)-1,3-oxathiolane?
The CAS number of 2-(1-Methylethyl)-1,3-oxathiolane is 17643-70-8.
What is the molecular formula of 2-(1-Methylethyl)-1,3-oxathiolane?
The molecular formula of 2-(1-Methylethyl)-1,3-oxathiolane is C6H12OS.
What is the molecular weight of 2-(1-Methylethyl)-1,3-oxathiolane?
The molecular weight of 2-(1-Methylethyl)-1,3-oxathiolane is 132.06 g/mol.
Where can I buy 2-(1-Methylethyl)-1,3-oxathiolane?
You can request a quote for 2-(1-Methylethyl)-1,3-oxathiolane 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)-1,3-oxathiolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylethyl)-1,3-oxathiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.