2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
TL;DR: 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CAS 6629-17-0) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] thiocyanate
Also Known As: 2-(4-thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2h-isoindol-2-yl)phenyl thiocyanate, [4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] thiocyanate
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 6629-17-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC#N |
| InChIKey | YVOAWERYGMLXFM-UHFFFAOYSA-N |
Product Overview
2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CAS 6629-17-0), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: [4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] thiocyanate.
Chemical Property Profile of 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Property Insights of 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
The XLogP value of 3.0 indicates that 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione has 0 hydrogen bond donor(s) and 4 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-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The CAS number of 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is 6629-17-0.
What is the molecular formula of 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The molecular formula of 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is C15H12N2O2S.
What is the molecular weight of 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The molecular weight of 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is 284.06 g/mol.
Where can I buy 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
You can request a quote for 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Thiocyanatophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.