(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea
TL;DR: (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea (CAS 176649-06-2) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)thiourea
Also Known As: (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea, (1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)thiourea, N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)thiourea
| Molecular Formula | C9H11N3O2S |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | -0.3142 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.0572 |
| Heavy Atoms | 15 |
| Complexity | 340.36896 |
Chemical Identifiers
| CAS Number | 176649-06-2 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)NC(=S)N |
Product Overview
(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea (CAS 176649-06-2), with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol. IUPAC: (1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)thiourea.
Chemical Property Profile of (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea
Property Insights of (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea
The XLogP value of -0.3142 indicates that (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea. Following Lipinski's Rule of Five, (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea has 2 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 (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea?
The CAS number of (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea is 176649-06-2.
What is the molecular formula of (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea?
The molecular formula of (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea is C9H11N3O2S.
What is the molecular weight of (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea?
The molecular weight of (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea is 225.06 g/mol.
Where can I buy (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea?
You can request a quote for (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.