N-benzyl-2-sulfanylacetamide
TL;DR: N-benzyl-2-sulfanylacetamide (CAS 1009-79-6) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.05614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-2-sulfanylacetamide
Also Known As: N-Benzylmercaptoacetamide, N-benzyl-2-sulfanylacetamide, N-benzyl-2-mercapto acetamide, N-Benzyl-2-mercaptoacetamide, N-benzyl-2-sulfanyl-acetamide
Technical Specifications
| Molecular Formula | C9H11NOS |
| Molecular Weight | 181.05614 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 30.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.05614 Da |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)CS |
| InChIKey | MPOFENMDEDQVSW-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-2-sulfanylacetamide
Property Insights of N-benzyl-2-sulfanylacetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-sulfanylacetamide. With a topological polar surface area (TPSA) of 30.1 Ų, N-benzyl-2-sulfanylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-sulfanylacetamide 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 N-benzyl-2-sulfanylacetamide?
The CAS number of N-benzyl-2-sulfanylacetamide is 1009-79-6.
What is the molecular formula of N-benzyl-2-sulfanylacetamide?
The molecular formula of N-benzyl-2-sulfanylacetamide is C9H11NOS.
What is the molecular weight of N-benzyl-2-sulfanylacetamide?
The molecular weight of N-benzyl-2-sulfanylacetamide is 181.05614 g/mol.
Where can I buy N-benzyl-2-sulfanylacetamide?
You can request a quote for N-benzyl-2-sulfanylacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-2-sulfanylacetamide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-2-sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.