N-(tert-butylthio)phthalimide
TL;DR: N-(tert-butylthio)phthalimide (CAS 17796-75-7) 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-tert-butylsulfanylisoindole-1,3-dione
Also Known As: N-(tert-butylthio)phthalimide, 2-tert-butylsulfanylisoindole-1,3-dione, 2-(tert-butyl)-3-thioxoisoindolin-1-one, 2-tert-butylsulfanyl-isoindole-1,3-dione, 2-(tert-Butylthio)-2H-isoindole-1,3-dione
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.7293 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 427.33173 |
Chemical Identifiers
| CAS Number | 17796-75-7 |
|---|---|
| SMILES | CC(C)(C)SN1C(=O)C2=CC=CC=C2C1=O |
Product Overview
N-(tert-butylthio)phthalimide (CAS 17796-75-7), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 2-tert-butylsulfanylisoindole-1,3-dione.
Chemical Property Profile of N-(tert-butylthio)phthalimide
Property Insights of N-(tert-butylthio)phthalimide
The XLogP value of 2.7293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butylthio)phthalimide. With a topological polar surface area (TPSA) of 37.38 Ų, N-(tert-butylthio)phthalimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butylthio)phthalimide 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 N-(tert-butylthio)phthalimide?
The CAS number of N-(tert-butylthio)phthalimide is 17796-75-7.
What is the molecular formula of N-(tert-butylthio)phthalimide?
The molecular formula of N-(tert-butylthio)phthalimide is C12H13NO2S.
What is the molecular weight of N-(tert-butylthio)phthalimide?
The molecular weight of N-(tert-butylthio)phthalimide is 235.07 g/mol.
Where can I buy N-(tert-butylthio)phthalimide?
You can request a quote for N-(tert-butylthio)phthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butylthio)phthalimide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butylthio)phthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.