Benzamide, thio-3,4,5-trimethoxy-
TL;DR: Benzamide, thio-3,4,5-trimethoxy- (CAS 60987-94-2) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxybenzenecarbothioamide
Also Known As: 3,4,5-Trimethoxythiobenzamide, 3,4,5-trimethoxybenzene-1-carbothioamide, 3,4,5-Trimethoxybenzothioamide, BENZAMIDE, THIO-3,4,5-TRIMETHOXY-, 3,4,5-trimethoxybenzenecarbothioamide
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 1.3466 |
| Topological Polar Surface Area | 53.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 353.9254 |
Chemical Identifiers
| CAS Number | 60987-94-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N |
Product Overview
Benzamide, thio-3,4,5-trimethoxy- (CAS 60987-94-2), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: 3,4,5-trimethoxybenzenecarbothioamide.
Chemical Property Profile of Benzamide, thio-3,4,5-trimethoxy-
Property Insights of Benzamide, thio-3,4,5-trimethoxy-
The XLogP value of 1.3466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, thio-3,4,5-trimethoxy-. With a topological polar surface area (TPSA) of 53.71 Ų, Benzamide, thio-3,4,5-trimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, thio-3,4,5-trimethoxy- has 1 hydrogen bond donor(s) and 4 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 Benzamide, thio-3,4,5-trimethoxy-?
The CAS number of Benzamide, thio-3,4,5-trimethoxy- is 60987-94-2.
What is the molecular formula of Benzamide, thio-3,4,5-trimethoxy-?
The molecular formula of Benzamide, thio-3,4,5-trimethoxy- is C10H13NO3S.
What is the molecular weight of Benzamide, thio-3,4,5-trimethoxy-?
The molecular weight of Benzamide, thio-3,4,5-trimethoxy- is 227.06 g/mol.
Where can I buy Benzamide, thio-3,4,5-trimethoxy-?
You can request a quote for Benzamide, thio-3,4,5-trimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, thio-3,4,5-trimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, thio-3,4,5-trimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.