Thietane, 3,3-dibromo-, 1,1-dioxide
TL;DR: Thietane, 3,3-dibromo-, 1,1-dioxide (CAS 59463-73-9) is a chemical compound with molecular formula C3H4Br2O2S and molecular weight 261.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dibromothietane 1,1-dioxide
Also Known As: 3,3-dibromothietane 1,1-dioxide, 3,3-Dibromothietan-1,1-dioxid, Thietane, 3,3-dibromo-, 1,1-dioxide, 3,3-Dibromo-1lambda~6~-thietane-1,1-dione
| Molecular Formula | C3H4Br2O2S |
|---|---|
| Molecular Weight | 261.83 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.8299 |
| Heavy Atoms | 8 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 59463-73-9 |
|---|---|
| SMILES | C1C(CS1(=O)=O)(Br)Br |
| InChIKey | XCLRTHTYCUVHLS-UHFFFAOYSA-N |
Product Overview
Thietane, 3,3-dibromo-, 1,1-dioxide (CAS 59463-73-9), with molecular formula C3H4Br2O2S and molecular weight 261.83 g/mol. IUPAC: 3,3-dibromothietane 1,1-dioxide.
Chemical Property Profile of Thietane, 3,3-dibromo-, 1,1-dioxide
Property Insights of Thietane, 3,3-dibromo-, 1,1-dioxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thietane, 3,3-dibromo-, 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, Thietane, 3,3-dibromo-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thietane, 3,3-dibromo-, 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 Thietane, 3,3-dibromo-, 1,1-dioxide?
The CAS number of Thietane, 3,3-dibromo-, 1,1-dioxide is 59463-73-9.
What is the molecular formula of Thietane, 3,3-dibromo-, 1,1-dioxide?
The molecular formula of Thietane, 3,3-dibromo-, 1,1-dioxide is C3H4Br2O2S.
What is the molecular weight of Thietane, 3,3-dibromo-, 1,1-dioxide?
The molecular weight of Thietane, 3,3-dibromo-, 1,1-dioxide is 261.83 g/mol.
Where can I buy Thietane, 3,3-dibromo-, 1,1-dioxide?
You can request a quote for Thietane, 3,3-dibromo-, 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 Thietane, 3,3-dibromo-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thietane, 3,3-dibromo-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.