3,4-Diethoxybenzene-1-carbothioamide
TL;DR: 3,4-Diethoxybenzene-1-carbothioamide (CAS 60759-00-4) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diethoxybenzenecarbothioamide
Also Known As: 3,4-DIETHOXYBENZOTHIOAMIDE, 3,4-diethoxybenzene-1-carbothioamide, 3,4-diethoxybenzenecarbothioamide, 3,4-diethoxythiobenzamide, Benzenecarbothioamide, 3,4-diethoxy-
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.1182 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 352.4412 |
Chemical Identifiers
| CAS Number | 60759-00-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=S)N)OCC |
Product Overview
3,4-Diethoxybenzene-1-carbothioamide (CAS 60759-00-4), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: 3,4-diethoxybenzenecarbothioamide.
Chemical Property Profile of 3,4-Diethoxybenzene-1-carbothioamide
Property Insights of 3,4-Diethoxybenzene-1-carbothioamide
The XLogP value of 2.1182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diethoxybenzene-1-carbothioamide. With a topological polar surface area (TPSA) of 44.48 Ų, 3,4-Diethoxybenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diethoxybenzene-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 3,4-Diethoxybenzene-1-carbothioamide?
The CAS number of 3,4-Diethoxybenzene-1-carbothioamide is 60759-00-4.
What is the molecular formula of 3,4-Diethoxybenzene-1-carbothioamide?
The molecular formula of 3,4-Diethoxybenzene-1-carbothioamide is C11H15NO2S.
What is the molecular weight of 3,4-Diethoxybenzene-1-carbothioamide?
The molecular weight of 3,4-Diethoxybenzene-1-carbothioamide is 225.08 g/mol.
Where can I buy 3,4-Diethoxybenzene-1-carbothioamide?
You can request a quote for 3,4-Diethoxybenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diethoxybenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diethoxybenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.