1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- (CAS 17796-73-5) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanylisoindole-1,3-dione
Also Known As: N-(Butylthio)phthalimide, 2-butylsulfanylisoindole-1,3-dione, 2-butylthioisoindoline-1,3-dione, 2-(Butylthio)isoindoline-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.7309 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 395.78186 |
Chemical Identifiers
| CAS Number | 17796-73-5 |
|---|---|
| SMILES | CCCCSN1C(=O)C2=CC=CC=C2C1=O |
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- (CAS 17796-73-5), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 2-butylsulfanylisoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-
The XLogP value of 2.7309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-. With a topological polar surface area (TPSA) of 37.38 Ų, 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- has 0 hydrogen bond donor(s) and 3 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 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- is 17796-73-5.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- is C12H13NO2S.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- is 235.07 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.