Dithio-ss-isoindigo
TL;DR: Dithio-ss-isoindigo (CAS 6813-37-2) is a chemical compound with molecular formula C16H10N2S2 and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-sulfanyl-2H-isoindol-1-yl)isoindole-1-thione
Also Known As: Dithio-ss-isoindigo, 3,3'-(1-isoindolinethion-3-ylidene), [1,1'-Biisoindolinylidene]-3,3'-dithione, DELTA1,1'-BIISOINDOLINE-3,3'-DITHIONE, (3Z)-3-(3-sulfanylideneisoindol-1-ylidene)isoindole-1-thione
| Molecular Formula | C16H10N2S2 |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.02853 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 6813-37-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC2=S)C3=C4C=CC=CC4=C(N3)S |
| InChIKey | ARTGKJZDUGPTIV-UHFFFAOYSA-N |
Product Overview
Dithio-ss-isoindigo (CAS 6813-37-2), with molecular formula C16H10N2S2 and molecular weight 294.03 g/mol. IUPAC: 3-(3-sulfanyl-2H-isoindol-1-yl)isoindole-1-thione.
Chemical Property Profile of Dithio-ss-isoindigo
Property Insights of Dithio-ss-isoindigo
The XLogP value of 4.4 indicates that Dithio-ss-isoindigo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithio-ss-isoindigo. Following Lipinski's Rule of Five, Dithio-ss-isoindigo has 2 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 Dithio-ss-isoindigo?
The CAS number of Dithio-ss-isoindigo is 6813-37-2.
What is the molecular formula of Dithio-ss-isoindigo?
The molecular formula of Dithio-ss-isoindigo is C16H10N2S2.
What is the molecular weight of Dithio-ss-isoindigo?
The molecular weight of Dithio-ss-isoindigo is 294.03 g/mol.
Where can I buy Dithio-ss-isoindigo?
You can request a quote for Dithio-ss-isoindigo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithio-ss-isoindigo?
Yes, KEHONG BIO provides custom synthesis services for Dithio-ss-isoindigo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.