1,3-二硫杂环己烷
TL;DR: 1,3-二硫杂环己烷 (CAS 505-23-7) is a chemical compound with molecular formula C4H8S2 and molecular weight 120.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二硫杂环己烷
1,3-dithiane
Also Known As: 1,3-Dithiane, 1,3-Dithiacyclohexane, m-DITHIANE, Dithiane-1,3, 1,3-dithian
| Molecular Formula | C4H8S2 |
|---|---|
| Molecular Weight | 120.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.006744 |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
| Melting Point | 54 °C |
Chemical Identifiers
| CAS Number | 505-23-7 |
|---|---|
| SMILES | C1CSCSC1 |
| InChIKey | WQADWIOXOXRPLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二硫杂环己烷 (CAS 505-23-7), with molecular formula C4H8S2 and molecular weight 120.01 g/mol. IUPAC: 1,3-dithiane.
Chemical Property Profile of 1,3-二硫杂环己烷
Property Insights of 1,3-二硫杂环己烷
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二硫杂环己烷. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-二硫杂环己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二硫杂环己烷 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 1,3-二硫杂环己烷?
The CAS number of 1,3-二硫杂环己烷 is 505-23-7.
What is the molecular formula of 1,3-二硫杂环己烷?
The molecular formula of 1,3-二硫杂环己烷 is C4H8S2.
What is the molecular weight of 1,3-二硫杂环己烷?
The molecular weight of 1,3-二硫杂环己烷 is 120.01 g/mol.
Where can I buy 1,3-二硫杂环己烷?
You can request a quote for 1,3-二硫杂环己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二硫杂环己烷?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二硫杂环己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.