3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide
TL;DR: 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide (CAS 102817-87-8) is a chemical compound with molecular formula C9H9ClN2OS and molecular weight 228.0124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide
Also Known As: 3-amino-N-(4-chlorophenyl)-3-thioxopropanamide, TOS-BB-0811, 3-amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide, N-(6-Aminobenzothiazol-2-yl)acetamide, Propanamide,3-amino-N-(4-chlorophenyl)-3-thioxo-
Technical Specifications
| Molecular Formula | C9H9ClN2OS |
| Molecular Weight | 228.0124 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.0124 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | C1=CC(=CC=C1NC(=O)CC(=S)N)Cl |
| InChIKey | UJHBOWCXQRFIPD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide
Property Insights of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide. Following Lipinski's Rule of Five, 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide 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
What is the CAS number of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide?
The CAS number of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide is 102817-87-8.
What is the molecular formula of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide?
The molecular formula of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide is C9H9ClN2OS.
What is the molecular weight of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide?
The molecular weight of 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide is 228.0124 g/mol.
Where can I buy 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide?
You can request a quote for 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide?
Yes, CoreyChem provides custom synthesis services for 3-Amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.