3-amino-N-benzyl-3-thioxopropanamide
TL;DR: 3-amino-N-benzyl-3-thioxopropanamide (CAS 102817-84-5) is a chemical compound with molecular formula C10H12N2OS and molecular weight 208.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-N-benzyl-3-sulfanylidenepropanamide
Also Known As: 3-amino-N-benzyl-3-thioxopropanamide, N-benzyl-2-carbamothioylacetamide, 3-amino-N-benzyl-3-sulfanylidenepropanamide, TOS-BB-0811, Propanamide,3-amino-N-(phenylmethyl)-3-thioxo-
Technical Specifications
| Molecular Formula | C10H12N2OS |
| Molecular Weight | 208.06703 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.06703 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)CC(=S)N |
| InChIKey | AEUIMRBUFSIIFH-UHFFFAOYSA-N |
Chemical Property Profile of 3-amino-N-benzyl-3-thioxopropanamide
Property Insights of 3-amino-N-benzyl-3-thioxopropanamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-N-benzyl-3-thioxopropanamide. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-N-benzyl-3-thioxopropanamide. Following Lipinski's Rule of Five, 3-amino-N-benzyl-3-thioxopropanamide 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-benzyl-3-thioxopropanamide?
The CAS number of 3-amino-N-benzyl-3-thioxopropanamide is 102817-84-5.
What is the molecular formula of 3-amino-N-benzyl-3-thioxopropanamide?
The molecular formula of 3-amino-N-benzyl-3-thioxopropanamide is C10H12N2OS.
What is the molecular weight of 3-amino-N-benzyl-3-thioxopropanamide?
The molecular weight of 3-amino-N-benzyl-3-thioxopropanamide is 208.06703 g/mol.
Where can I buy 3-amino-N-benzyl-3-thioxopropanamide?
You can request a quote for 3-amino-N-benzyl-3-thioxopropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-amino-N-benzyl-3-thioxopropanamide?
Yes, CoreyChem provides custom synthesis services for 3-amino-N-benzyl-3-thioxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.