![1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea structure](/static/products/454/454446-50-5.png)
1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea
TL;DR: 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea (CAS 454446-50-5) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(3-oxoinden-1-ylidene)amino]-3-prop-2-enylthiourea
Also Known As: 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea, 1-[(3-oxoinden-1-ylidene)amino]-3-prop-2-enyl-thiourea, 1-[(E)-(3-oxoinden-1-ylidene)amino]-3-prop-2-enylthiourea, 3-(Aza(((prop-2-enylamino)thioxomethyl)amino)methylene)indan-1-one
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 1.6272 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 536.79285 |
Chemical Identifiers
| CAS Number | 454446-50-5 |
|---|---|
| SMILES | C=CCNC(=S)N/N=C/1\CC(=O)C2=CC=CC=C12 |
Product Overview
1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea (CAS 454446-50-5), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 1-[(E)-(3-oxoinden-1-ylidene)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea
Property Insights of 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea
The XLogP value of 1.6272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea. With a topological polar surface area (TPSA) of 53.49 Ų, 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]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-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea?
The CAS number of 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea is 454446-50-5.
What is the molecular formula of 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea?
The molecular formula of 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea is C13H13N3OS.
What is the molecular weight of 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea?
The molecular weight of 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea is 259.08 g/mol.
Where can I buy 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea?
You can request a quote for 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3-[(E)-(3-oxoindan-1-ylidene)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.