1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin
TL;DR: 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin (CAS 36568-23-7) is a chemical compound with molecular formula C11H14S2 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
Also Known As: 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin, 7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine, 1,5-Dihydro-7,8-dimethyl-2,4-benzodithiepin, 1,5-Dihydro-7,8-dimethyl-2,4-benzodithiepine, 1,5-Dihydro-7,8-dimethylbenzo[2,4]dithiepin
| Molecular Formula | C11H14S2 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.0537 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 36568-23-7 |
|---|---|
| SMILES | CC1=CC2=C(CSCSC2)C=C1C |
| InChIKey | SMVKOIBFWKSJBJ-UHFFFAOYSA-N |
Product Overview
1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin (CAS 36568-23-7), with molecular formula C11H14S2 and molecular weight 210.05 g/mol. IUPAC: 7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine.
Chemical Property Profile of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin
Property Insights of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin
The XLogP value of 3.4 indicates that 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin 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
Frequently Asked Questions
What is the CAS number of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin?
The CAS number of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin is 36568-23-7.
What is the molecular formula of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin?
The molecular formula of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin is C11H14S2.
What is the molecular weight of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin?
The molecular weight of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin is 210.05 g/mol.
Where can I buy 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin?
You can request a quote for 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.