Phthalimide, 4-amino-N-(trichloromethylthio)-
TL;DR: Phthalimide, 4-amino-N-(trichloromethylthio)- (CAS 98591-72-1) is a chemical compound with molecular formula C9H5Cl3N2O2S and molecular weight 309.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(trichloromethylsulfanyl)isoindole-1,3-dione
Also Known As: Phthalimide, 4-amino-N-(trichloromethylthio)-, 4-Amino-N-(trichloromethylthio)phthalimide, 5-22-13-00280 (Beilstein Handbook Reference), 5-amino-2-(trichloromethylsulfanyl)isoindole-1,3-dione, 5-Amino-2-[(trichloromethyl)sulfanyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C9H5Cl3N2O2S |
|---|---|
| Molecular Weight | 309.91 g/mol |
| LogP | 2.8407 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.91373 |
| Heavy Atoms | 17 |
| Complexity | 515.4527 |
Chemical Identifiers
| CAS Number | 98591-72-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)C(=O)N(C2=O)SC(Cl)(Cl)Cl |
Product Overview
Phthalimide, 4-amino-N-(trichloromethylthio)- (CAS 98591-72-1), with molecular formula C9H5Cl3N2O2S and molecular weight 309.91 g/mol. IUPAC: 5-amino-2-(trichloromethylsulfanyl)isoindole-1,3-dione.
Chemical Property Profile of Phthalimide, 4-amino-N-(trichloromethylthio)-
Property Insights of Phthalimide, 4-amino-N-(trichloromethylthio)-
The XLogP value of 2.8407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalimide, 4-amino-N-(trichloromethylthio)-. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalimide, 4-amino-N-(trichloromethylthio)-. Following Lipinski's Rule of Five, Phthalimide, 4-amino-N-(trichloromethylthio)- 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 Phthalimide, 4-amino-N-(trichloromethylthio)-?
The CAS number of Phthalimide, 4-amino-N-(trichloromethylthio)- is 98591-72-1.
What is the molecular formula of Phthalimide, 4-amino-N-(trichloromethylthio)-?
The molecular formula of Phthalimide, 4-amino-N-(trichloromethylthio)- is C9H5Cl3N2O2S.
What is the molecular weight of Phthalimide, 4-amino-N-(trichloromethylthio)-?
The molecular weight of Phthalimide, 4-amino-N-(trichloromethylthio)- is 309.91 g/mol.
Where can I buy Phthalimide, 4-amino-N-(trichloromethylthio)-?
You can request a quote for Phthalimide, 4-amino-N-(trichloromethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalimide, 4-amino-N-(trichloromethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Phthalimide, 4-amino-N-(trichloromethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.