5-Bromo-2(5H)-thiophenone
TL;DR: 5-Bromo-2(5H)-thiophenone (CAS 17019-33-9) is a chemical compound with molecular formula C4H3BrOS and molecular weight 177.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2H-thiophen-5-one
Also Known As: 5-Bromothiophen-2(5H)-one, 5-Bromo-2(5H)-thiophenone, 2-bromo-2H-thiophen-5-one, 2(5H)-Thiophenone, 5-bromo-, 5-bromo-5H-thiophen-2-one
| Molecular Formula | C4H3BrOS |
|---|---|
| Molecular Weight | 177.91 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.9088 |
| Heavy Atoms | 7 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 17019-33-9 |
|---|---|
| SMILES | C1=CC(=O)SC1Br |
| InChIKey | ITXASWFLRBVJME-UHFFFAOYSA-N |
Product Overview
5-Bromo-2(5H)-thiophenone (CAS 17019-33-9), with molecular formula C4H3BrOS and molecular weight 177.91 g/mol. IUPAC: 2-bromo-2H-thiophen-5-one.
Chemical Property Profile of 5-Bromo-2(5H)-thiophenone
Property Insights of 5-Bromo-2(5H)-thiophenone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2(5H)-thiophenone. With a topological polar surface area (TPSA) of 42.4 Ų, 5-Bromo-2(5H)-thiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2(5H)-thiophenone 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 5-Bromo-2(5H)-thiophenone?
The CAS number of 5-Bromo-2(5H)-thiophenone is 17019-33-9.
What is the molecular formula of 5-Bromo-2(5H)-thiophenone?
The molecular formula of 5-Bromo-2(5H)-thiophenone is C4H3BrOS.
What is the molecular weight of 5-Bromo-2(5H)-thiophenone?
The molecular weight of 5-Bromo-2(5H)-thiophenone is 177.91 g/mol.
Where can I buy 5-Bromo-2(5H)-thiophenone?
You can request a quote for 5-Bromo-2(5H)-thiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2(5H)-thiophenone?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2(5H)-thiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.