1-Allyl-3-(4-isopropylphenyl)thiourea
TL;DR: 1-Allyl-3-(4-isopropylphenyl)thiourea (CAS 889221-30-1) is a chemical compound with molecular formula C13H18N2S and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylphenyl)-3-prop-2-enylthiourea
Also Known As: 1-allyl-3-(4-isopropylphenyl)thiourea, 3-(prop-2-en-1-yl)-1-[4-(propan-2-yl)phenyl]thiourea, 1-(4-propan-2-ylphenyl)-3-prop-2-enylthiourea
| Molecular Formula | C13H18N2S |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 3.2824 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.11906 |
| Heavy Atoms | 16 |
| Complexity | 354.7003 |
Chemical Identifiers
| CAS Number | 889221-30-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=S)NCC=C |
Product Overview
1-Allyl-3-(4-isopropylphenyl)thiourea (CAS 889221-30-1), with molecular formula C13H18N2S and molecular weight 234.12 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-Allyl-3-(4-isopropylphenyl)thiourea
Property Insights of 1-Allyl-3-(4-isopropylphenyl)thiourea
The XLogP value of 3.2824 indicates that 1-Allyl-3-(4-isopropylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-Allyl-3-(4-isopropylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-(4-isopropylphenyl)thiourea has 2 hydrogen bond donor(s) and 1 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-(4-isopropylphenyl)thiourea?
The CAS number of 1-Allyl-3-(4-isopropylphenyl)thiourea is 889221-30-1.
What is the molecular formula of 1-Allyl-3-(4-isopropylphenyl)thiourea?
The molecular formula of 1-Allyl-3-(4-isopropylphenyl)thiourea is C13H18N2S.
What is the molecular weight of 1-Allyl-3-(4-isopropylphenyl)thiourea?
The molecular weight of 1-Allyl-3-(4-isopropylphenyl)thiourea is 234.12 g/mol.
Where can I buy 1-Allyl-3-(4-isopropylphenyl)thiourea?
You can request a quote for 1-Allyl-3-(4-isopropylphenyl)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-(4-isopropylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-(4-isopropylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.