Trithiacyclohexene
TL;DR: Trithiacyclohexene (CAS 505-20-4) is a chemical compound with molecular formula C4H6S2 and molecular weight 117.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydrodithiine
Also Known As: trithiacyclohexene, dihydrodithiin, 3,4-dihydrodithiine, 3-dithiane, Tetrahydro-1,2-dithiin
| Molecular Formula | C4H6S2 |
|---|---|
| Molecular Weight | 117.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.99109 |
| Heavy Atoms | 6 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 505-20-4 |
|---|---|
| SMILES | C1CSSC=C1 |
| InChIKey | KRXAVBPUAIKSFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trithiacyclohexene (CAS 505-20-4), with molecular formula C4H6S2 and molecular weight 117.99 g/mol. IUPAC: 3,4-dihydrodithiine.
Chemical Property Profile of Trithiacyclohexene
Property Insights of Trithiacyclohexene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trithiacyclohexene. With a topological polar surface area (TPSA) of 50.6 Ų, Trithiacyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trithiacyclohexene 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 Trithiacyclohexene?
The CAS number of Trithiacyclohexene is 505-20-4.
What is the molecular formula of Trithiacyclohexene?
The molecular formula of Trithiacyclohexene is C4H6S2.
What is the molecular weight of Trithiacyclohexene?
The molecular weight of Trithiacyclohexene is 117.99 g/mol.
Where can I buy Trithiacyclohexene?
You can request a quote for Trithiacyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trithiacyclohexene?
Yes, KEHONG BIO provides custom synthesis services for Trithiacyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.