2,4-Dimethylthiolan-3-one
TL;DR: 2,4-Dimethylthiolan-3-one (CAS 106014-15-7) is a chemical compound with molecular formula C6H10OS and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylthiolan-3-one
Also Known As: 2,4-dimethylthiolan-3-one, Dihydro-2,4-dimethyl-3(2H)-thiophenone, 2,4-Dimethyldihydrothiophen-3(2H)-one, 3(2H)-Thiophenone, dihydro-2,4-dimethyl-, 2,4-dimethyl-tetrahydro-thiophen-3-one
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 106014-15-7 |
|---|---|
| SMILES | CC1CSC(C1=O)C |
| InChIKey | HOMIEGBJQNRINM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylthiolan-3-one (CAS 106014-15-7), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: 2,4-dimethylthiolan-3-one.
Chemical Property Profile of 2,4-Dimethylthiolan-3-one
Property Insights of 2,4-Dimethylthiolan-3-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylthiolan-3-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2,4-Dimethylthiolan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylthiolan-3-one 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 2,4-Dimethylthiolan-3-one?
The CAS number of 2,4-Dimethylthiolan-3-one is 106014-15-7.
What is the molecular formula of 2,4-Dimethylthiolan-3-one?
The molecular formula of 2,4-Dimethylthiolan-3-one is C6H10OS.
What is the molecular weight of 2,4-Dimethylthiolan-3-one?
The molecular weight of 2,4-Dimethylthiolan-3-one is 130.05 g/mol.
Where can I buy 2,4-Dimethylthiolan-3-one?
You can request a quote for 2,4-Dimethylthiolan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylthiolan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylthiolan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.