3(2H)-Thiophenone, 2,5-dimethyl-
TL;DR: 3(2H)-Thiophenone, 2,5-dimethyl- (CAS 3760-59-6) is a chemical compound with molecular formula C6H8OS and molecular weight 128.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylthiophen-3-one
Also Known As: 2,5-dimethylthiophen-3-one, 3(2H)-Thiophenone, 2,5-dimethyl-, 3(2H)-Thiophenone,2,5-dimethyl-, 2,5-dimethylthiophen-3(2H)-one
| Molecular Formula | C6H8OS |
|---|---|
| Molecular Weight | 128.03 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 | 128.02959 |
| Heavy Atoms | 8 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 3760-59-6 |
|---|---|
| SMILES | CC1C(=O)C=C(S1)C |
| InChIKey | ADSJGERWYXNGTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Thiophenone, 2,5-dimethyl- (CAS 3760-59-6), with molecular formula C6H8OS and molecular weight 128.03 g/mol. IUPAC: 2,5-dimethylthiophen-3-one.
Chemical Property Profile of 3(2H)-Thiophenone, 2,5-dimethyl-
Property Insights of 3(2H)-Thiophenone, 2,5-dimethyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Thiophenone, 2,5-dimethyl-. With a topological polar surface area (TPSA) of 42.4 Ų, 3(2H)-Thiophenone, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Thiophenone, 2,5-dimethyl- 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(2H)-Thiophenone, 2,5-dimethyl-?
The CAS number of 3(2H)-Thiophenone, 2,5-dimethyl- is 3760-59-6.
What is the molecular formula of 3(2H)-Thiophenone, 2,5-dimethyl-?
The molecular formula of 3(2H)-Thiophenone, 2,5-dimethyl- is C6H8OS.
What is the molecular weight of 3(2H)-Thiophenone, 2,5-dimethyl-?
The molecular weight of 3(2H)-Thiophenone, 2,5-dimethyl- is 128.03 g/mol.
Where can I buy 3(2H)-Thiophenone, 2,5-dimethyl-?
You can request a quote for 3(2H)-Thiophenone, 2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Thiophenone, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Thiophenone, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.