![N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea structure](/static/products/3313/331-37-3.webp)
N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea (CAS 331-37-3) is a chemical compound with molecular formula C11H11F3N2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea, 3-(prop-2-en-1-yl)-1-[3-(trifluoromethyl)phenyl]thiourea, 1-Allyl-3-(3-(trifluoromethyl)phenyl)thiourea, 8E-934, 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C11H11F3N2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 3.1778 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0595 |
| Heavy Atoms | 17 |
| Complexity | 415.42273 |
Chemical Identifiers
| CAS Number | 331-37-3 |
|---|---|
| SMILES | C=CCNC(=S)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea (CAS 331-37-3), with molecular formula C11H11F3N2S and molecular weight 260.06 g/mol. IUPAC: 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 3.1778 indicates that N-allyl-N'-[3-(trifluoromethyl)phenyl]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, N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-[3-(trifluoromethyl)phenyl]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 N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea is 331-37-3.
What is the molecular formula of N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea is C11H11F3N2S.
What is the molecular weight of N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea is 260.06 g/mol.
Where can I buy N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for N-allyl-N'-[3-(trifluoromethyl)phenyl]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'-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.