N-Allyl-N'-(4-chlorophenyl)thiourea
TL;DR: N-Allyl-N'-(4-chlorophenyl)thiourea (CAS 14255-79-9) is a chemical compound with molecular formula C10H11ClN2S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-prop-2-enylthiourea
Also Known As: N-Allyl-N'-(4-chlorophenyl)thiourea, 1-allyl-3-(4-chlorophenyl)thiourea, 1-(4-chlorophenyl)-3-prop-2-enylthiourea, 1-(4-chlorophenyl)-3-(prop-2-en-1-yl)thiourea, 3-allyl-1-(4-chlorophenyl)isothiourea
| Molecular Formula | C10H11ClN2S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 2.8124 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.03314 |
| Heavy Atoms | 14 |
| Complexity | 321.3988 |
Chemical Identifiers
| CAS Number | 14255-79-9 |
|---|---|
| SMILES | C=CCNC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
N-Allyl-N'-(4-chlorophenyl)thiourea (CAS 14255-79-9), with molecular formula C10H11ClN2S and molecular weight 226.03 g/mol. IUPAC: 1-(4-chlorophenyl)-3-prop-2-enylthiourea.
Chemical Property Profile of N-Allyl-N'-(4-chlorophenyl)thiourea
Property Insights of N-Allyl-N'-(4-chlorophenyl)thiourea
The XLogP value of 2.8124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allyl-N'-(4-chlorophenyl)thiourea. With a topological polar surface area (TPSA) of 24.06 Ų, N-Allyl-N'-(4-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allyl-N'-(4-chlorophenyl)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'-(4-chlorophenyl)thiourea?
The CAS number of N-Allyl-N'-(4-chlorophenyl)thiourea is 14255-79-9.
What is the molecular formula of N-Allyl-N'-(4-chlorophenyl)thiourea?
The molecular formula of N-Allyl-N'-(4-chlorophenyl)thiourea is C10H11ClN2S.
What is the molecular weight of N-Allyl-N'-(4-chlorophenyl)thiourea?
The molecular weight of N-Allyl-N'-(4-chlorophenyl)thiourea is 226.03 g/mol.
Where can I buy N-Allyl-N'-(4-chlorophenyl)thiourea?
You can request a quote for N-Allyl-N'-(4-chlorophenyl)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-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-Allyl-N'-(4-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.