3-Bromothietane 1,1-dioxide
TL;DR: 3-Bromothietane 1,1-dioxide (CAS 59463-72-8) is a chemical compound with molecular formula C3H5BrO2S and molecular weight 183.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromothietane 1,1-dioxide
Also Known As: 3-bromothietane 1,1-dioxide, 1-2 weeks, 1,1-DIOXIDE-3-BROMOTHIETANE, 3-bromothietane1,1-dioxide, Thietane, 3-bromo-, 1,1-dioxide
| Molecular Formula | C3H5BrO2S |
|---|---|
| Molecular Weight | 183.92 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.91936 |
| Heavy Atoms | 7 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 59463-72-8 |
|---|---|
| SMILES | C1C(CS1(=O)=O)Br |
| InChIKey | XSEKMFLQQOEVTJ-UHFFFAOYSA-N |
Product Overview
3-Bromothietane 1,1-dioxide (CAS 59463-72-8), with molecular formula C3H5BrO2S and molecular weight 183.92 g/mol. IUPAC: 3-bromothietane 1,1-dioxide.
Chemical Property Profile of 3-Bromothietane 1,1-dioxide
Property Insights of 3-Bromothietane 1,1-dioxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromothietane 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Bromothietane 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromothietane 1,1-dioxide 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-Bromothietane 1,1-dioxide?
The CAS number of 3-Bromothietane 1,1-dioxide is 59463-72-8.
What is the molecular formula of 3-Bromothietane 1,1-dioxide?
The molecular formula of 3-Bromothietane 1,1-dioxide is C3H5BrO2S.
What is the molecular weight of 3-Bromothietane 1,1-dioxide?
The molecular weight of 3-Bromothietane 1,1-dioxide is 183.92 g/mol.
Where can I buy 3-Bromothietane 1,1-dioxide?
You can request a quote for 3-Bromothietane 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromothietane 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromothietane 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.