3,4-Dimethoxythiobenzamide
TL;DR: 3,4-Dimethoxythiobenzamide (CAS 58952-14-0) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxybenzenecarbothioamide
Also Known As: 3,4-Dimethoxythiobenzamide, 3,4-Dimethoxybenzothioamide, thioveratramide, 3,4-dimethoxy-thiobenzamide, 3,4-dimethoxybenzenecarbothioamide
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.338 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 58952-14-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=S)N)OC |
Product Overview
3,4-Dimethoxythiobenzamide (CAS 58952-14-0), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: 3,4-dimethoxybenzenecarbothioamide.
Chemical Property Profile of 3,4-Dimethoxythiobenzamide
Property Insights of 3,4-Dimethoxythiobenzamide
The XLogP value of 1.338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxythiobenzamide. With a topological polar surface area (TPSA) of 44.48 Ų, 3,4-Dimethoxythiobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxythiobenzamide 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-Dimethoxythiobenzamide?
The CAS number of 3,4-Dimethoxythiobenzamide is 58952-14-0.
What is the molecular formula of 3,4-Dimethoxythiobenzamide?
The molecular formula of 3,4-Dimethoxythiobenzamide is C9H11NO2S.
What is the molecular weight of 3,4-Dimethoxythiobenzamide?
The molecular weight of 3,4-Dimethoxythiobenzamide is 197.05 g/mol.
Where can I buy 3,4-Dimethoxythiobenzamide?
You can request a quote for 3,4-Dimethoxythiobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxythiobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxythiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.