2(3H)-Thiophenone, 3,3,5-trimethyl-
TL;DR: 2(3H)-Thiophenone, 3,3,5-trimethyl- (CAS 33687-83-1) is a chemical compound with molecular formula C7H10OS and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethylthiophen-2-one
Also Known As: 3,3,5-trimethylthiophen-2-one, 2(3H)-Thiophenone, 3,3,5-trimethyl-, 2(3H)-Thiophenone,3,3,5-trimethyl-, 3,3,5-trimethylthiophen-2(3H)-one
| Molecular Formula | C7H10OS |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.04524 |
| Heavy Atoms | 9 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 33687-83-1 |
|---|---|
| SMILES | CC1=CC(C(=O)S1)(C)C |
| InChIKey | NIJLDXJPMUKNDX-UHFFFAOYSA-N |
Product Overview
2(3H)-Thiophenone, 3,3,5-trimethyl- (CAS 33687-83-1), with molecular formula C7H10OS and molecular weight 142.05 g/mol. IUPAC: 3,3,5-trimethylthiophen-2-one.
Chemical Property Profile of 2(3H)-Thiophenone, 3,3,5-trimethyl-
Property Insights of 2(3H)-Thiophenone, 3,3,5-trimethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Thiophenone, 3,3,5-trimethyl-. With a topological polar surface area (TPSA) of 42.4 Ų, 2(3H)-Thiophenone, 3,3,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Thiophenone, 3,3,5-trimethyl- 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(3H)-Thiophenone, 3,3,5-trimethyl-?
The CAS number of 2(3H)-Thiophenone, 3,3,5-trimethyl- is 33687-83-1.
What is the molecular formula of 2(3H)-Thiophenone, 3,3,5-trimethyl-?
The molecular formula of 2(3H)-Thiophenone, 3,3,5-trimethyl- is C7H10OS.
What is the molecular weight of 2(3H)-Thiophenone, 3,3,5-trimethyl-?
The molecular weight of 2(3H)-Thiophenone, 3,3,5-trimethyl- is 142.05 g/mol.
Where can I buy 2(3H)-Thiophenone, 3,3,5-trimethyl-?
You can request a quote for 2(3H)-Thiophenone, 3,3,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Thiophenone, 3,3,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Thiophenone, 3,3,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.