2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate
TL;DR: 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate (CAS 744161-37-3) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)ethyl carbamimidothioate
Also Known As: Maybridge4_003750, 2-(1,3-DIOXOISOINDOLIN-2-YL)ETHYL CARBAMIMIDOTHIOATE, 2-(1,3-dioxoisoindol-2-yl)ethyl carbamimidothioate, BRD-K69690963-004-01-8, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl imidothiocarbamate hydrochloride
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 744161-37-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC(=N)N |
| InChIKey | XXNPWNLDWANULI-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate (CAS 744161-37-3), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)ethyl carbamimidothioate.
Chemical Property Profile of 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate
Property Insights of 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate. Following Lipinski's Rule of Five, 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate has 2 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 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate?
The CAS number of 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate is 744161-37-3.
What is the molecular formula of 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate?
The molecular formula of 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate is C11H11N3O2S.
What is the molecular weight of 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate?
The molecular weight of 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate is 249.06 g/mol.
Where can I buy 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate?
You can request a quote for 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate 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-Dioxoisoindolin-2-YL)ethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxoisoindolin-2-YL)ethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.