N-Allyl-2-(phenylthio)acetamide
TL;DR: N-Allyl-2-(phenylthio)acetamide (CAS 147949-45-9) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylsulfanyl-N-prop-2-enylacetamide
Also Known As: N-Allyl-2-(phenylthio)acetamide, N-Allyl-2-phenylsulfanyl-acetamide, N-allyl-2-(phenylsulfanyl)acetamide, 2-(Phenylthio)-N-(2-propenyl)acetamide, BAS 02199151
Technical Specifications
| Molecular Formula | C11H13NOS |
| Molecular Weight | 207.0718 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.0718 Da |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
| SMILES | C=CCNC(=O)CSC1=CC=CC=C1 |
| InChIKey | UAGUCSGYTBCSLM-UHFFFAOYSA-N |
Chemical Property Profile of N-Allyl-2-(phenylthio)acetamide
Property Insights of N-Allyl-2-(phenylthio)acetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allyl-2-(phenylthio)acetamide. With a topological polar surface area (TPSA) of 54.4 Ų, N-Allyl-2-(phenylthio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allyl-2-(phenylthio)acetamide has 1 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-Allyl-2-(phenylthio)acetamide?
The CAS number of N-Allyl-2-(phenylthio)acetamide is 147949-45-9.
What is the molecular formula of N-Allyl-2-(phenylthio)acetamide?
The molecular formula of N-Allyl-2-(phenylthio)acetamide is C11H13NOS.
What is the molecular weight of N-Allyl-2-(phenylthio)acetamide?
The molecular weight of N-Allyl-2-(phenylthio)acetamide is 207.0718 g/mol.
Where can I buy N-Allyl-2-(phenylthio)acetamide?
You can request a quote for N-Allyl-2-(phenylthio)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Allyl-2-(phenylthio)acetamide?
Yes, CoreyChem provides custom synthesis services for N-Allyl-2-(phenylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.