![4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide structure](/static/products/6451/64510-94-7.webp)
4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide
TL;DR: 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide (CAS 64510-94-7) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-ethoxyphenyl)iminomethyl]benzenecarbothioamide
Also Known As: 4-[(4-ethoxyphenyl)iminomethyl]benzenecarbothioamide, 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide, BENZENECARBOTHIOAMIDE,4-[[(4-ETHOXYPHENYL)IMINO]METHYL]-
| Molecular Formula | C16H16N2OS |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.4701 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.09833 |
| Heavy Atoms | 20 |
| Complexity | 603.3789 |
Chemical Identifiers
| CAS Number | 64510-94-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C(=S)N |
Product Overview
4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide (CAS 64510-94-7), with molecular formula C16H16N2OS and molecular weight 284.10 g/mol. IUPAC: 4-[(4-ethoxyphenyl)iminomethyl]benzenecarbothioamide.
Chemical Property Profile of 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide
Property Insights of 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide
The XLogP value of 3.4701 indicates that 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.61 Ų, 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide?
The CAS number of 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide is 64510-94-7.
What is the molecular formula of 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide?
The molecular formula of 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide is C16H16N2OS.
What is the molecular weight of 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide?
The molecular weight of 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide is 284.10 g/mol.
Where can I buy 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide?
You can request a quote for 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{(E)-[(4-Ethoxyphenyl)imino]methyl}benzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.