2-Methylthio-5-phenyl-6a-thiathiophthene
TL;DR: 2-Methylthio-5-phenyl-6a-thiathiophthene (CAS 20365-77-9) is a chemical compound with molecular formula C12H10S4 and molecular weight 281.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-7-phenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: 2-Methylthio-5-phenyl-6a-thiathiophthene, 3-methylsulfanyl-7-phenyl-1, [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV, 2-(methylthio)-5-phenyl-, 2-(Methylsulfanyl)-5-phenyl-7lambda~4~-[1,2]dithiolo[1,5-b][1,2]dithiole, RefChem:264019
| Molecular Formula | C12H10S4 |
|---|---|
| Molecular Weight | 281.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.96652 |
| Heavy Atoms | 16 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 20365-77-9 |
|---|---|
| SMILES | CSC1=CC2=S(S1)SC(=C2)C3=CC=CC=C3 |
| InChIKey | UGMZZSWLNWLHKR-UHFFFAOYSA-N |
Product Overview
2-Methylthio-5-phenyl-6a-thiathiophthene (CAS 20365-77-9), with molecular formula C12H10S4 and molecular weight 281.97 g/mol. IUPAC: 3-methylsulfanyl-7-phenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene.
Chemical Property Profile of 2-Methylthio-5-phenyl-6a-thiathiophthene
Property Insights of 2-Methylthio-5-phenyl-6a-thiathiophthene
The XLogP value of 3.7 indicates that 2-Methylthio-5-phenyl-6a-thiathiophthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylthio-5-phenyl-6a-thiathiophthene. Following Lipinski's Rule of Five, 2-Methylthio-5-phenyl-6a-thiathiophthene has 0 hydrogen bond donor(s) and 4 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 2-Methylthio-5-phenyl-6a-thiathiophthene?
The CAS number of 2-Methylthio-5-phenyl-6a-thiathiophthene is 20365-77-9.
What is the molecular formula of 2-Methylthio-5-phenyl-6a-thiathiophthene?
The molecular formula of 2-Methylthio-5-phenyl-6a-thiathiophthene is C12H10S4.
What is the molecular weight of 2-Methylthio-5-phenyl-6a-thiathiophthene?
The molecular weight of 2-Methylthio-5-phenyl-6a-thiathiophthene is 281.97 g/mol.
Where can I buy 2-Methylthio-5-phenyl-6a-thiathiophthene?
You can request a quote for 2-Methylthio-5-phenyl-6a-thiathiophthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylthio-5-phenyl-6a-thiathiophthene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylthio-5-phenyl-6a-thiathiophthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.