4-Ethoxy-3-methoxybenzene-1-carbothioamide
TL;DR: 4-Ethoxy-3-methoxybenzene-1-carbothioamide (CAS 60758-96-5) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-3-methoxybenzenecarbothioamide
Also Known As: 4-ethoxy-3-methoxybenzene-1-carbothioamide, 4-ethoxy-3-methoxybenzenecarbothioamide, 4-ethoxy-3-methoxy-benzenecarbothioamide, amino(4-ethoxy-3-methoxyphenyl)methane-1-thione, 999-551-6
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.7281 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 338.89392 |
Chemical Identifiers
| CAS Number | 60758-96-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=S)N)OC |
Product Overview
4-Ethoxy-3-methoxybenzene-1-carbothioamide (CAS 60758-96-5), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: 4-ethoxy-3-methoxybenzenecarbothioamide.
Chemical Property Profile of 4-Ethoxy-3-methoxybenzene-1-carbothioamide
Property Insights of 4-Ethoxy-3-methoxybenzene-1-carbothioamide
The XLogP value of 1.7281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-3-methoxybenzene-1-carbothioamide. With a topological polar surface area (TPSA) of 44.48 Ų, 4-Ethoxy-3-methoxybenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-3-methoxybenzene-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-Ethoxy-3-methoxybenzene-1-carbothioamide?
The CAS number of 4-Ethoxy-3-methoxybenzene-1-carbothioamide is 60758-96-5.
What is the molecular formula of 4-Ethoxy-3-methoxybenzene-1-carbothioamide?
The molecular formula of 4-Ethoxy-3-methoxybenzene-1-carbothioamide is C10H13NO2S.
What is the molecular weight of 4-Ethoxy-3-methoxybenzene-1-carbothioamide?
The molecular weight of 4-Ethoxy-3-methoxybenzene-1-carbothioamide is 211.07 g/mol.
Where can I buy 4-Ethoxy-3-methoxybenzene-1-carbothioamide?
You can request a quote for 4-Ethoxy-3-methoxybenzene-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-Ethoxy-3-methoxybenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-3-methoxybenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.