1,3-二硫杂环丁烷
TL;DR: 1,3-二硫杂环丁烷 (CAS 287-53-6) is a chemical compound with molecular formula C1SCS1 and molecular weight 91.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二硫杂环丁烷
1,3-dithietane
Also Known As: 1,3-Dithietane, 1,3-dithiacyclobutane, RefChem:72834, InChI=1/C2H4S2/c1-3-2-4-1/h1-2H
| Molecular Formula | C1SCS1 |
|---|---|
| Molecular Weight | 91.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 91.97544 |
| Heavy Atoms | 4 |
| Complexity | 12.0 |
Chemical Identifiers
| CAS Number | 287-53-6 |
|---|---|
| SMILES | C1SCS1 |
| InChIKey | ITXACGPMGJCSKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二硫杂环丁烷 (CAS 287-53-6), with molecular formula C1SCS1 and molecular weight 91.98 g/mol. IUPAC: 1,3-dithietane.
Chemical Property Profile of 1,3-二硫杂环丁烷
Property Insights of 1,3-二硫杂环丁烷
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二硫杂环丁烷. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-二硫杂环丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二硫杂环丁烷 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 1,3-二硫杂环丁烷?
The CAS number of 1,3-二硫杂环丁烷 is 287-53-6.
What is the molecular formula of 1,3-二硫杂环丁烷?
The molecular formula of 1,3-二硫杂环丁烷 is C1SCS1.
What is the molecular weight of 1,3-二硫杂环丁烷?
The molecular weight of 1,3-二硫杂环丁烷 is 91.98 g/mol.
Where can I buy 1,3-二硫杂环丁烷?
You can request a quote for 1,3-二硫杂环丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二硫杂环丁烷?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二硫杂环丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.