2,3-Dihydro-1,4-benzodithiine
TL;DR: 2,3-Dihydro-1,4-benzodithiine (CAS 6247-55-8) is a chemical compound with molecular formula C8H8S2 and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-benzodithiine
Also Known As: 2,3-Dihydro-1,4-benzodithiin, Benzodithiene, 2,3-dihydro-1,4-benzodithiine, 1,4-Benzodithiene, Benzo-1,4-dithiane
| Molecular Formula | C8H8S2 |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.00674 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 6247-55-8 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2S1 |
| InChIKey | VIDHILKLKOQXEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-1,4-benzodithiine (CAS 6247-55-8), with molecular formula C8H8S2 and molecular weight 168.01 g/mol. IUPAC: 2,3-dihydro-1,4-benzodithiine.
Chemical Property Profile of 2,3-Dihydro-1,4-benzodithiine
Property Insights of 2,3-Dihydro-1,4-benzodithiine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1,4-benzodithiine. With a topological polar surface area (TPSA) of 50.6 Ų, 2,3-Dihydro-1,4-benzodithiine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,4-benzodithiine 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 2,3-Dihydro-1,4-benzodithiine?
The CAS number of 2,3-Dihydro-1,4-benzodithiine is 6247-55-8.
What is the molecular formula of 2,3-Dihydro-1,4-benzodithiine?
The molecular formula of 2,3-Dihydro-1,4-benzodithiine is C8H8S2.
What is the molecular weight of 2,3-Dihydro-1,4-benzodithiine?
The molecular weight of 2,3-Dihydro-1,4-benzodithiine is 168.01 g/mol.
Where can I buy 2,3-Dihydro-1,4-benzodithiine?
You can request a quote for 2,3-Dihydro-1,4-benzodithiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1,4-benzodithiine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1,4-benzodithiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.