3-Methyl-2-oxothiacyclobutane
TL;DR: 3-Methyl-2-oxothiacyclobutane (CAS 21083-22-7) is a chemical compound with molecular formula C4H6OS and molecular weight 102.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylthietan-2-one
Also Known As: 3-methylthietan-2-one, 3-methyl-2-oxothiacyclobutane, 3-Methylthietane-2-one, 2-Thietanone, 3-methyl-, 2-Thietanone,3-methyl-,(S)
| Molecular Formula | C4H6OS |
|---|---|
| Molecular Weight | 102.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.01394 |
| Heavy Atoms | 6 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 21083-22-7 |
|---|---|
| SMILES | CC1CSC1=O |
| InChIKey | KANHTMXMAWADED-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-oxothiacyclobutane (CAS 21083-22-7), with molecular formula C4H6OS and molecular weight 102.01 g/mol. IUPAC: 3-methylthietan-2-one.
Chemical Property Profile of 3-Methyl-2-oxothiacyclobutane
Property Insights of 3-Methyl-2-oxothiacyclobutane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-oxothiacyclobutane. With a topological polar surface area (TPSA) of 42.4 Ų, 3-Methyl-2-oxothiacyclobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-oxothiacyclobutane 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 3-Methyl-2-oxothiacyclobutane?
The CAS number of 3-Methyl-2-oxothiacyclobutane is 21083-22-7.
What is the molecular formula of 3-Methyl-2-oxothiacyclobutane?
The molecular formula of 3-Methyl-2-oxothiacyclobutane is C4H6OS.
What is the molecular weight of 3-Methyl-2-oxothiacyclobutane?
The molecular weight of 3-Methyl-2-oxothiacyclobutane is 102.01 g/mol.
Where can I buy 3-Methyl-2-oxothiacyclobutane?
You can request a quote for 3-Methyl-2-oxothiacyclobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-oxothiacyclobutane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-oxothiacyclobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.