2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
TL;DR: 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one (CAS 31772-43-7) is a chemical compound with molecular formula C8H9ClOS and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2,5-dimethylthiophen-3-yl)ethanone
Also Known As: 2-chloro-1-(2,5-dimethylthiophen-3-yl)ethanone, 2-chloro-1-(2,5-dimethyl-3-thienyl)ethanone, 2-CHLORO-1- ETHANONE, 2-chloro-1-(2,5-dimethylthien-3-yl)ethanone, 2-chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
| Molecular Formula | C8H9ClOS |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.00627 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 31772-43-7 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C(=O)CCl |
| InChIKey | JHVAHFKUIQIYAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one (CAS 31772-43-7), with molecular formula C8H9ClOS and molecular weight 188.01 g/mol. IUPAC: 2-chloro-1-(2,5-dimethylthiophen-3-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
Property Insights of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-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-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one?
The CAS number of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one is 31772-43-7.
What is the molecular formula of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one?
The molecular formula of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one is C8H9ClOS.
What is the molecular weight of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one?
The molecular weight of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one is 188.01 g/mol.
Where can I buy 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one?
You can request a quote for 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.