N-allyl-N'-(4-methoxyphenyl)thiourea
TL;DR: N-allyl-N'-(4-methoxyphenyl)thiourea (CAS 1138-72-3) is a chemical compound with molecular formula C11H14N2OS and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-prop-2-enylthiourea
Also Known As: N-allyl-N'-(4-methoxyphenyl)thiourea, 1-(4-methoxyphenyl)-3-prop-2-enylthiourea, 1-allyl-3-(4-methoxyphenyl)thiourea, 1-(4-METHOXYPHENYL)-3-(PROP-2-EN-1-YL)THIOUREA, 1-(4-Methoxyphenyl)-3-allylthiourea
| Molecular Formula | C11H14N2OS |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 2.1676 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.08269 |
| Heavy Atoms | 15 |
| Complexity | 334.94608 |
Chemical Identifiers
| CAS Number | 1138-72-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NCC=C |
Product Overview
N-allyl-N'-(4-methoxyphenyl)thiourea (CAS 1138-72-3), with molecular formula C11H14N2OS and molecular weight 222.08 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-N'-(4-methoxyphenyl)thiourea
Property Insights of N-allyl-N'-(4-methoxyphenyl)thiourea
The XLogP value of 2.1676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-N'-(4-methoxyphenyl)thiourea. With a topological polar surface area (TPSA) of 33.29 Ų, N-allyl-N'-(4-methoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-(4-methoxyphenyl)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 N-allyl-N'-(4-methoxyphenyl)thiourea?
The CAS number of N-allyl-N'-(4-methoxyphenyl)thiourea is 1138-72-3.
What is the molecular formula of N-allyl-N'-(4-methoxyphenyl)thiourea?
The molecular formula of N-allyl-N'-(4-methoxyphenyl)thiourea is C11H14N2OS.
What is the molecular weight of N-allyl-N'-(4-methoxyphenyl)thiourea?
The molecular weight of N-allyl-N'-(4-methoxyphenyl)thiourea is 222.08 g/mol.
Where can I buy N-allyl-N'-(4-methoxyphenyl)thiourea?
You can request a quote for N-allyl-N'-(4-methoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N'-(4-methoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-(4-methoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.