N-(Phenylthioxomethyl)acetamide
TL;DR: N-(Phenylthioxomethyl)acetamide (CAS 6780-64-9) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzenecarbonothioyl)acetamide
Also Known As: N-Acetylthiobenzamide, Benzamide, N-acetylthio-, N-Acetylbenzothioamide, N-Benzenecarbothioylacetamide, N-(phenylcarbonothioyl)acetamide
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 1.4982 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 294.65665 |
Chemical Identifiers
| CAS Number | 6780-64-9 |
|---|---|
| SMILES | CC(=O)NC(=S)C1=CC=CC=C1 |
Product Overview
N-(Phenylthioxomethyl)acetamide (CAS 6780-64-9), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: N-(benzenecarbonothioyl)acetamide.
Chemical Property Profile of N-(Phenylthioxomethyl)acetamide
Property Insights of N-(Phenylthioxomethyl)acetamide
The XLogP value of 1.4982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Phenylthioxomethyl)acetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(Phenylthioxomethyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Phenylthioxomethyl)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
Frequently Asked Questions
What is the CAS number of N-(Phenylthioxomethyl)acetamide?
The CAS number of N-(Phenylthioxomethyl)acetamide is 6780-64-9.
What is the molecular formula of N-(Phenylthioxomethyl)acetamide?
The molecular formula of N-(Phenylthioxomethyl)acetamide is C9H9NOS.
What is the molecular weight of N-(Phenylthioxomethyl)acetamide?
The molecular weight of N-(Phenylthioxomethyl)acetamide is 179.04 g/mol.
Where can I buy N-(Phenylthioxomethyl)acetamide?
You can request a quote for N-(Phenylthioxomethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Phenylthioxomethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Phenylthioxomethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.