2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide
TL;DR: 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide (CAS 329079-46-1) is a chemical compound with molecular formula C17H18N2OS and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-(3,5-dimethylphenyl)-2-sulfanylideneacetamide
Also Known As: 1-(benzylcarbamothioyl)-N-(3,5-dimethylphenyl)formamide, 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide, 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-sulfanylideneacetamide, 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxo-acetamide, N-(3,5-dimethylphenyl)-2-[benzylamino]-2-thioxoacetamide
| Molecular Formula | C17H18N2OS |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.11398 |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 329079-46-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)C(=S)NCC2=CC=CC=C2)C |
| InChIKey | DWTXTHXWMBFBKI-UHFFFAOYSA-N |
Product Overview
2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide (CAS 329079-46-1), with molecular formula C17H18N2OS and molecular weight 298.11 g/mol. IUPAC: 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide
Property Insights of 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide
The XLogP value of 3.6 indicates that 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide. Following Lipinski's Rule of Five, 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide has 2 hydrogen bond donor(s) and 2 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 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide?
The CAS number of 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide is 329079-46-1.
What is the molecular formula of 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide?
The molecular formula of 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide is C17H18N2OS.
What is the molecular weight of 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide?
The molecular weight of 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide is 298.11 g/mol.
Where can I buy 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide?
You can request a quote for 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-(3,5-dimethylphenyl)-2-thioxoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.