(2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole
TL;DR: (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole (CAS 67855-75-8) is a chemical compound with molecular formula C16H12S4 and molecular weight 331.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole
Also Known As: 5,5'-dimethyl-2,2'-bi(1,3-benzodithiol-2-ylidene), AE-848/33223017, (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole
| Molecular Formula | C16H12S4 |
|---|---|
| Molecular Weight | 331.98 g/mol |
| LogP | 6.52584 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 331.98218 |
| Heavy Atoms | 20 |
| Complexity | 682.63727 |
Chemical Identifiers
| CAS Number | 67855-75-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)S/C(=C\3/SC4=C(S3)C=C(C=C4)C)/S2 |
Product Overview
(2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole (CAS 67855-75-8), with molecular formula C16H12S4 and molecular weight 331.98 g/mol. IUPAC: (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole.
Chemical Property Profile of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole
Property Insights of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole
The XLogP value of 6.52584 indicates that (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole?
The CAS number of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole is 67855-75-8.
What is the molecular formula of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole?
The molecular formula of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole is C16H12S4.
What is the molecular weight of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole?
The molecular weight of (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole is 331.98 g/mol.
Where can I buy (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole?
You can request a quote for (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole?
Yes, KEHONG BIO provides custom synthesis services for (2E)-5-methyl-2-(5-methyl-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.