1,2,5-Trithiepane
TL;DR: 1,2,5-Trithiepane (CAS 6576-93-8) is a chemical compound with molecular formula C4H8S3 and molecular weight 151.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5-trithiepane
Also Known As: 1,2,5-Trithiepane, 1,2,5-trithiacycloheptane, 1,2,5-Trithiapane, RefChem:71578
| Molecular Formula | C4H8S3 |
|---|---|
| Molecular Weight | 151.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.97882 |
| Heavy Atoms | 7 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 6576-93-8 |
|---|---|
| SMILES | C1CSSCCS1 |
| InChIKey | JOAOASQIWYLMQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,5-Trithiepane (CAS 6576-93-8), with molecular formula C4H8S3 and molecular weight 151.98 g/mol. IUPAC: 1,2,5-trithiepane.
Chemical Property Profile of 1,2,5-Trithiepane
Property Insights of 1,2,5-Trithiepane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5-Trithiepane. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,5-Trithiepane. Following Lipinski's Rule of Five, 1,2,5-Trithiepane has 0 hydrogen bond donor(s) and 3 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 1,2,5-Trithiepane?
The CAS number of 1,2,5-Trithiepane is 6576-93-8.
What is the molecular formula of 1,2,5-Trithiepane?
The molecular formula of 1,2,5-Trithiepane is C4H8S3.
What is the molecular weight of 1,2,5-Trithiepane?
The molecular weight of 1,2,5-Trithiepane is 151.98 g/mol.
Where can I buy 1,2,5-Trithiepane?
You can request a quote for 1,2,5-Trithiepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5-Trithiepane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5-Trithiepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.