2-(1,3-Dioxoisoindol-2-yl)propanethioamide
TL;DR: 2-(1,3-Dioxoisoindol-2-yl)propanethioamide (CAS 79005-63-3) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)propanethioamide
Also Known As: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanethioamide, 2-(1,3-dioxoisoindol-2-yl)propanethioamide, 2H-Isoindole-2-ethanethioamide, 1,3-dihydro-a-methyl-1,3-dioxo-, AN-329/41189577, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 0.9572 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 463.51285 |
Chemical Identifiers
| CAS Number | 79005-63-3 |
|---|---|
| SMILES | CC(C(=S)N)N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
2-(1,3-Dioxoisoindol-2-yl)propanethioamide (CAS 79005-63-3), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)propanethioamide.
Chemical Property Profile of 2-(1,3-Dioxoisoindol-2-yl)propanethioamide
Property Insights of 2-(1,3-Dioxoisoindol-2-yl)propanethioamide
The XLogP value of 0.9572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxoisoindol-2-yl)propanethioamide. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxoisoindol-2-yl)propanethioamide. Following Lipinski's Rule of Five, 2-(1,3-Dioxoisoindol-2-yl)propanethioamide has 1 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 2-(1,3-Dioxoisoindol-2-yl)propanethioamide?
The CAS number of 2-(1,3-Dioxoisoindol-2-yl)propanethioamide is 79005-63-3.
What is the molecular formula of 2-(1,3-Dioxoisoindol-2-yl)propanethioamide?
The molecular formula of 2-(1,3-Dioxoisoindol-2-yl)propanethioamide is C11H10N2O2S.
What is the molecular weight of 2-(1,3-Dioxoisoindol-2-yl)propanethioamide?
The molecular weight of 2-(1,3-Dioxoisoindol-2-yl)propanethioamide is 234.05 g/mol.
Where can I buy 2-(1,3-Dioxoisoindol-2-yl)propanethioamide?
You can request a quote for 2-(1,3-Dioxoisoindol-2-yl)propanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxoisoindol-2-yl)propanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxoisoindol-2-yl)propanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.