2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione (CAS 423738-27-6) is a chemical compound with molecular formula C15H8N2O2S2 and molecular weight 312.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)isoindole-1,3-dione
Also Known As: ChemDiv2_001104, BIM-0039202.P001, 2-(2-THIOXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-6-YL)-1H-ISOINDOLE-1,3(2H)-DIONE, 2-(2-thioxo-2,3-dihydrobenzo[d]thiazol-6-yl)isoindoline-1,3-dione, 2-(2-sulfanyl-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H8N2O2S2 |
|---|---|
| Molecular Weight | 312.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.00272 |
| Heavy Atoms | 21 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 423738-27-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)NC(=S)S4 |
| InChIKey | GWEUDYITDJCBMN-UHFFFAOYSA-N |
Product Overview
2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione (CAS 423738-27-6), with molecular formula C15H8N2O2S2 and molecular weight 312.00 g/mol. IUPAC: 2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione has 1 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-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione is 423738-27-6.
What is the molecular formula of 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione is C15H8N2O2S2.
What is the molecular weight of 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione is 312.00 g/mol.
Where can I buy 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.