2(5H)-Thiophenone, 4,5-dimethyl-
TL;DR: 2(5H)-Thiophenone, 4,5-dimethyl- (CAS 35983-76-7) 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.
2,3-dimethyl-2H-thiophen-5-one
Also Known As: 2(5H)-Thiophenone, 4,5-dimethyl-, 4,5-dimethyl-2(5H)-thiophenone, 2(5H)-Thiophenone,4,5-dimethyl-, 2,3-dimethyl-2H-thiophen-5-one, 4,5-Dimethylthiophen-2(5H)-one
| Molecular Formula | C6H8OS |
|---|---|
| Molecular Weight | 128.03 g/mol |
| LogP | 1.1 |
| 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 | 35983-76-7 |
|---|---|
| SMILES | CC1C(=CC(=O)S1)C |
| InChIKey | VGDREHMLNBECEK-UHFFFAOYSA-N |
Product Overview
2(5H)-Thiophenone, 4,5-dimethyl- (CAS 35983-76-7), with molecular formula C6H8OS and molecular weight 128.03 g/mol. IUPAC: 2,3-dimethyl-2H-thiophen-5-one.
Chemical Property Profile of 2(5H)-Thiophenone, 4,5-dimethyl-
Property Insights of 2(5H)-Thiophenone, 4,5-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(5H)-Thiophenone, 4,5-dimethyl-. With a topological polar surface area (TPSA) of 42.4 Ų, 2(5H)-Thiophenone, 4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(5H)-Thiophenone, 4,5-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 2(5H)-Thiophenone, 4,5-dimethyl-?
The CAS number of 2(5H)-Thiophenone, 4,5-dimethyl- is 35983-76-7.
What is the molecular formula of 2(5H)-Thiophenone, 4,5-dimethyl-?
The molecular formula of 2(5H)-Thiophenone, 4,5-dimethyl- is C6H8OS.
What is the molecular weight of 2(5H)-Thiophenone, 4,5-dimethyl-?
The molecular weight of 2(5H)-Thiophenone, 4,5-dimethyl- is 128.03 g/mol.
Where can I buy 2(5H)-Thiophenone, 4,5-dimethyl-?
You can request a quote for 2(5H)-Thiophenone, 4,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(5H)-Thiophenone, 4,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(5H)-Thiophenone, 4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.