3-Methylthietane
TL;DR: 3-Methylthietane (CAS 22438-40-0) is a chemical compound with molecular formula C4H8S and molecular weight 88.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylthietane
Also Known As: 3-Methylthietane, 3-methylthiethane, Thietane, 3-methyl-, 3-methyl-thietane, RefChem:94968
| Molecular Formula | C4H8S |
|---|---|
| Molecular Weight | 88.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.03467 |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
Chemical Identifiers
| CAS Number | 22438-40-0 |
|---|---|
| SMILES | CC1CSC1 |
| InChIKey | AICMILUQCQAHLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylthietane (CAS 22438-40-0), with molecular formula C4H8S and molecular weight 88.03 g/mol. IUPAC: 3-methylthietane.
Chemical Property Profile of 3-Methylthietane
Property Insights of 3-Methylthietane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylthietane. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Methylthietane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylthietane has 0 hydrogen bond donor(s) and 1 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-Methylthietane?
The CAS number of 3-Methylthietane is 22438-40-0.
What is the molecular formula of 3-Methylthietane?
The molecular formula of 3-Methylthietane is C4H8S.
What is the molecular weight of 3-Methylthietane?
The molecular weight of 3-Methylthietane is 88.03 g/mol.
Where can I buy 3-Methylthietane?
You can request a quote for 3-Methylthietane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylthietane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylthietane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.