![N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide structure](/static/products/690/690694-77-0.png)
N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide
TL;DR: N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide (CAS 690694-77-0) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethoxyethylcarbamothioyl)benzamide
Also Known As: N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide, N-(2,2-dimethoxyethylcarbamothioyl)benzamide
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 0.9098 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 393.56882 |
Chemical Identifiers
| CAS Number | 690694-77-0 |
|---|---|
| SMILES | COC(CNC(=S)NC(=O)C1=CC=CC=C1)OC |
Product Overview
N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide (CAS 690694-77-0), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: N-(2,2-dimethoxyethylcarbamothioyl)benzamide.
Chemical Property Profile of N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide
Property Insights of N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide
The XLogP value of 0.9098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide. With a topological polar surface area (TPSA) of 59.59 Ų, N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide has 2 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 N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide?
The CAS number of N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide is 690694-77-0.
What is the molecular formula of N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide?
The molecular formula of N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide is C12H16N2O3S.
What is the molecular weight of N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide?
The molecular weight of N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide is 268.09 g/mol.
Where can I buy N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide?
You can request a quote for N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2,2-dimethoxyethyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.