2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione (CAS 101278-75-5) is a chemical compound with molecular formula C16H10N2O2S2 and molecular weight 326.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione
Also Known As: ChemDiv2_005088, DivK1c_004887, CDS1_003847, IDI1_003803, BIM-0017496.P001
| Molecular Formula | C16H10N2O2S2 |
|---|---|
| Molecular Weight | 326.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.01837 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 101278-75-5 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | FABDFVRJVRKWHK-UHFFFAOYSA-N |
Product Overview
2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione (CAS 101278-75-5), with molecular formula C16H10N2O2S2 and molecular weight 326.02 g/mol. IUPAC: 2-(2-methylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.8 indicates that 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 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-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione is 101278-75-5.
What is the molecular formula of 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione is C16H10N2O2S2.
What is the molecular weight of 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione is 326.02 g/mol.
Where can I buy 2-(2-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(2-(Methylthio)-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-(Methylthio)-1,3-benzothiazol-6-YL)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(Methylthio)-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.