2-Methylthiolan-4-one-3-thiol
TL;DR: 2-Methylthiolan-4-one-3-thiol (CAS 65936-90-5) is a chemical compound with molecular formula C5H8OS2 and molecular weight 148.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-sulfanylthiolan-3-one
Also Known As: 2-Methylthiolan-4-one-3-thiol, 5-methyl-4-sulfanylthiolan-3-one, Thiolan-4-on-3-thiol,2-methyl, Thiolan-4-on-3-thiol, 2-methyl, Thiolan-4-one, 2-methyl-3-mercapto
| Molecular Formula | C5H8OS2 |
|---|---|
| Molecular Weight | 148.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.00166 |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 65936-90-5 |
|---|---|
| SMILES | CC1C(C(=O)CS1)S |
| InChIKey | XXRXAVULMYKULG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylthiolan-4-one-3-thiol (CAS 65936-90-5), with molecular formula C5H8OS2 and molecular weight 148.00 g/mol. IUPAC: 5-methyl-4-sulfanylthiolan-3-one.
Chemical Property Profile of 2-Methylthiolan-4-one-3-thiol
Property Insights of 2-Methylthiolan-4-one-3-thiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylthiolan-4-one-3-thiol. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methylthiolan-4-one-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylthiolan-4-one-3-thiol has 1 hydrogen bond donor(s) and 3 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-Methylthiolan-4-one-3-thiol?
The CAS number of 2-Methylthiolan-4-one-3-thiol is 65936-90-5.
What is the molecular formula of 2-Methylthiolan-4-one-3-thiol?
The molecular formula of 2-Methylthiolan-4-one-3-thiol is C5H8OS2.
What is the molecular weight of 2-Methylthiolan-4-one-3-thiol?
The molecular weight of 2-Methylthiolan-4-one-3-thiol is 148.00 g/mol.
Where can I buy 2-Methylthiolan-4-one-3-thiol?
You can request a quote for 2-Methylthiolan-4-one-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylthiolan-4-one-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylthiolan-4-one-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.