3-(3,4-Dichlorophenyl)-1,1-diethylthiourea
TL;DR: 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea (CAS 70646-91-2) is a chemical compound with molecular formula C11H14Cl2N2S and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1,1-diethylthiourea
Also Known As: 3-(3,4-dichlorophenyl)-1,1-diethylthiourea, N'-(3,4-dichlorophenyl)-N,N-diethylthiourea
| Molecular Formula | C11H14Cl2N2S |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 4.032 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.02548 |
| Heavy Atoms | 16 |
| Complexity | 378.24734 |
Chemical Identifiers
| CAS Number | 70646-91-2 |
|---|---|
| SMILES | CCN(CC)C(=S)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
3-(3,4-Dichlorophenyl)-1,1-diethylthiourea (CAS 70646-91-2), with molecular formula C11H14Cl2N2S and molecular weight 276.03 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1,1-diethylthiourea.
Chemical Property Profile of 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea
Property Insights of 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea
The XLogP value of 4.032 indicates that 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea has 1 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 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea?
The CAS number of 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea is 70646-91-2.
What is the molecular formula of 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea?
The molecular formula of 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea is C11H14Cl2N2S.
What is the molecular weight of 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea?
The molecular weight of 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea is 276.03 g/mol.
Where can I buy 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea?
You can request a quote for 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dichlorophenyl)-1,1-diethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.