1-Allyl-3-(pyridin-4-yl)thiourea
TL;DR: 1-Allyl-3-(pyridin-4-yl)thiourea (CAS 321689-96-7) is a chemical compound with molecular formula C9H11N3S and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enyl-3-pyridin-4-ylthiourea
Also Known As: 1-allyl-3-(pyridin-4-yl)thiourea, 1-prop-2-enyl-3-pyridin-4-ylthiourea, 1-allyl-3-(4-pyridyl)thiourea, 1-Allyl-3-(4-pyridinyl)thioure, 3-prop-2-enyl-1-pyridin-4-yl-thiourea
| Molecular Formula | C9H11N3S |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.554 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.06737 |
| Heavy Atoms | 13 |
| Complexity | 284.1711 |
Chemical Identifiers
| CAS Number | 321689-96-7 |
|---|---|
| SMILES | C=CCNC(=S)NC1=CC=NC=C1 |
Product Overview
1-Allyl-3-(pyridin-4-yl)thiourea (CAS 321689-96-7), with molecular formula C9H11N3S and molecular weight 193.07 g/mol. IUPAC: 1-prop-2-enyl-3-pyridin-4-ylthiourea.
Chemical Property Profile of 1-Allyl-3-(pyridin-4-yl)thiourea
Property Insights of 1-Allyl-3-(pyridin-4-yl)thiourea
The XLogP value of 1.554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3-(pyridin-4-yl)thiourea. With a topological polar surface area (TPSA) of 36.95 Ų, 1-Allyl-3-(pyridin-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-(pyridin-4-yl)thiourea has 2 hydrogen bond donor(s) and 2 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-(pyridin-4-yl)thiourea?
The CAS number of 1-Allyl-3-(pyridin-4-yl)thiourea is 321689-96-7.
What is the molecular formula of 1-Allyl-3-(pyridin-4-yl)thiourea?
The molecular formula of 1-Allyl-3-(pyridin-4-yl)thiourea is C9H11N3S.
What is the molecular weight of 1-Allyl-3-(pyridin-4-yl)thiourea?
The molecular weight of 1-Allyl-3-(pyridin-4-yl)thiourea is 193.07 g/mol.
Where can I buy 1-Allyl-3-(pyridin-4-yl)thiourea?
You can request a quote for 1-Allyl-3-(pyridin-4-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-Allyl-3-(pyridin-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-(pyridin-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.