Hexahydrocycloocta-1,2-dithiole-3-thione
TL;DR: Hexahydrocycloocta-1,2-dithiole-3-thione (CAS 52398-34-2) is a chemical compound with molecular formula C9H12S3 and molecular weight 216.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7,8,9-hexahydrocycloocta[c]dithiole-3-thione
Also Known As: Hexahydrocycloocta-1,2-dithiole-3-thione, 9,10-dithiabicyclo[6.3.0]undec-12-ene-11-thione, 3H,4H,5H,6H,7H,8H,9H-cycloocta[c][1,2]dithiole-3-thione, 4,5,6,7,8,9-Hexahydro-3H-cycloocta-1,2-dithiol-3-thione, 4,5,6,7,8,9-Hexahydro-3H-cycloocta[c][1,2]dithiole-3-thione
| Molecular Formula | C9H12S3 |
|---|---|
| Molecular Weight | 216.01 g/mol |
| LogP | 4.19809 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.01012 |
| Heavy Atoms | 12 |
| Complexity | 307.8187 |
Chemical Identifiers
| CAS Number | 52398-34-2 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=S)SS2 |
Product Overview
Hexahydrocycloocta-1,2-dithiole-3-thione (CAS 52398-34-2), with molecular formula C9H12S3 and molecular weight 216.01 g/mol. IUPAC: 4,5,6,7,8,9-hexahydrocycloocta[c]dithiole-3-thione.
Chemical Property Profile of Hexahydrocycloocta-1,2-dithiole-3-thione
Property Insights of Hexahydrocycloocta-1,2-dithiole-3-thione
The XLogP value of 4.19809 indicates that Hexahydrocycloocta-1,2-dithiole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexahydrocycloocta-1,2-dithiole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydrocycloocta-1,2-dithiole-3-thione 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 Hexahydrocycloocta-1,2-dithiole-3-thione?
The CAS number of Hexahydrocycloocta-1,2-dithiole-3-thione is 52398-34-2.
What is the molecular formula of Hexahydrocycloocta-1,2-dithiole-3-thione?
The molecular formula of Hexahydrocycloocta-1,2-dithiole-3-thione is C9H12S3.
What is the molecular weight of Hexahydrocycloocta-1,2-dithiole-3-thione?
The molecular weight of Hexahydrocycloocta-1,2-dithiole-3-thione is 216.01 g/mol.
Where can I buy Hexahydrocycloocta-1,2-dithiole-3-thione?
You can request a quote for Hexahydrocycloocta-1,2-dithiole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydrocycloocta-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for Hexahydrocycloocta-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.