![N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide structure](/static/products/1173/117379-02-9.webp)
N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide
TL;DR: N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide (CAS 117379-02-9) is a chemical compound with molecular formula C10H10N2OS and molecular weight 206.05139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(cyanomethylsulfanyl)phenyl]acetamide
Also Known As: N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide, N-[4-(cyanomethylsulfanyl)phenyl]acetamide, N-(4-(NITRILOMETHYLTHIO)PHENYL)ETHANAMIDE
Technical Specifications
| Molecular Formula | C10H10N2OS |
| Molecular Weight | 206.05139 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.05139 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)SCC#N |
| InChIKey | PVUXJXXPMSUMMA-UHFFFAOYSA-N |
Chemical Property Profile of N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide
Property Insights of N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide. Following Lipinski's Rule of Five, N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide has 1 hydrogen bond donor(s) and 3 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-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide?
The CAS number of N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide is 117379-02-9.
What is the molecular formula of N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide?
The molecular formula of N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide is C10H10N2OS.
What is the molecular weight of N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide?
The molecular weight of N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide is 206.05139 g/mol.
Where can I buy N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide?
You can request a quote for N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide?
Yes, CoreyChem provides custom synthesis services for N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.