1,4,5,7-Tetrahydro-3H-2,6-benzodithionin
TL;DR: 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin (CAS 22887-74-7) 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.
3,4,5,7-tetrahydro-1H-2,6-benzodithionine
Also Known As: 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin, 1,4,5,7-tetrahydro-3H-benzo-2,6-dithionine, 3,4,5,7-tetrahydro-1H-2,6-benzodithionine, 3H-2,6-Benzodithionin, 1,4,5,7-tetrahydro-, 3,4,5,7-Tetrahydro-1H-benzo[g][1,5]dithionine
| Molecular Formula | C11H14S2 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 3.5567 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.0537 |
| Heavy Atoms | 13 |
| Complexity | 243.54771 |
Chemical Identifiers
| CAS Number | 22887-74-7 |
|---|---|
| SMILES | C1CSCC2=CC=CC=C2CSC1 |
Product Overview
1,4,5,7-Tetrahydro-3H-2,6-benzodithionin (CAS 22887-74-7), with molecular formula C11H14S2 and molecular weight 210.05 g/mol. IUPAC: 3,4,5,7-tetrahydro-1H-2,6-benzodithionine.
Chemical Property Profile of 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin
Property Insights of 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin
The XLogP value of 3.5567 indicates that 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin 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 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin?
The CAS number of 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin is 22887-74-7.
What is the molecular formula of 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin?
The molecular formula of 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin is C11H14S2.
What is the molecular weight of 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin?
The molecular weight of 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin is 210.05 g/mol.
Where can I buy 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin?
You can request a quote for 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,7-Tetrahydro-3H-2,6-benzodithionin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.