2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione
TL;DR: 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione (CAS 128742-65-4) is a chemical compound with molecular formula C8H8S2 and molecular weight 168.00674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanylcyclohepta-2,4,6-triene-1-thione
Also Known As: hexamethoniumtartrate, 2-(Methylthio)-2,4,6-cycloheptatriene-1-thione, 2-methylsulfanylcyclohepta-2,4,6-triene-1-thione, 2-(METHYLSULFANYL)CYCLOHEPTA-2,4,6-TRIENE-1-THIONE, 2-Methylthio-2,4,6-cycloheptatrien-1-thion
Technical Specifications
| Molecular Formula | C8H8S2 |
| Molecular Weight | 168.00674 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.00674 Da |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
| SMILES | CSC1=CC=CC=CC1=S |
| InChIKey | GTDWDLRADNMJHQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione
Property Insights of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione. With a topological polar surface area (TPSA) of 57.4 Ų, 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione 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
What is the CAS number of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione?
The CAS number of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione is 128742-65-4.
What is the molecular formula of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione?
The molecular formula of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione is C8H8S2.
What is the molecular weight of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione?
The molecular weight of 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione is 168.00674 g/mol.
Where can I buy 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione?
You can request a quote for 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione?
Yes, CoreyChem provides custom synthesis services for 2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.