Cyclohepta-1,2-dithiole-3-thione
TL;DR: Cyclohepta-1,2-dithiole-3-thione (CAS 6125-89-9) is a chemical compound with molecular formula C8H10S3 and molecular weight 201.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-tetrahydro-4H-cyclohepta[c]dithiole-3-thione
Also Known As: Cyclohepta-1,2-dithiole-3-thione, 5,6,7,8-tetrahydrocyclohepta[c][1,2]dithiole-3-thione, 8,9-dithiabicyclo[5.3.0]dec-11-ene-10-thione, 3H,4H,5H,6H,7H,8H-cyclohepta[c][1,2]dithiole-3-thione, 4,5,6,7-Tetrahydrocyclohepta-1,2-dithiol-3(8H)-thione
| Molecular Formula | C8H10S3 |
|---|---|
| Molecular Weight | 201.99 g/mol |
| LogP | 3.80799 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.99446 |
| Heavy Atoms | 11 |
| Complexity | 294.53098 |
Chemical Identifiers
| CAS Number | 6125-89-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SSC2=S |
Product Overview
Cyclohepta-1,2-dithiole-3-thione (CAS 6125-89-9), with molecular formula C8H10S3 and molecular weight 201.99 g/mol. IUPAC: 5,6,7,8-tetrahydro-4H-cyclohepta[c]dithiole-3-thione.
Chemical Property Profile of Cyclohepta-1,2-dithiole-3-thione
Property Insights of Cyclohepta-1,2-dithiole-3-thione
The XLogP value of 3.80799 indicates that Cyclohepta-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, Cyclohepta-1,2-dithiole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohepta-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 Cyclohepta-1,2-dithiole-3-thione?
The CAS number of Cyclohepta-1,2-dithiole-3-thione is 6125-89-9.
What is the molecular formula of Cyclohepta-1,2-dithiole-3-thione?
The molecular formula of Cyclohepta-1,2-dithiole-3-thione is C8H10S3.
What is the molecular weight of Cyclohepta-1,2-dithiole-3-thione?
The molecular weight of Cyclohepta-1,2-dithiole-3-thione is 201.99 g/mol.
Where can I buy Cyclohepta-1,2-dithiole-3-thione?
You can request a quote for Cyclohepta-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 Cyclohepta-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for Cyclohepta-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.