2-(苄硫基)乙酰胺
TL;DR: 2-(苄硫基)乙酰胺 (CAS 54744-70-6) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(苄硫基)乙酰胺
2-benzylsulfanylacetamide
Also Known As: 2-(Benzylthio)acetamide, Acetamide, 2-(benzylthio)-, alpha-(Benzylthio)acetamide, a-(benzylthio)acetamide, 2-(benzylsulfanyl)acetamide
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 54744-70-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(=O)N |
| InChIKey | SSAAMOPNNPAZDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(苄硫基)乙酰胺 (CAS 54744-70-6), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: 2-benzylsulfanylacetamide.
Chemical Property Profile of 2-(苄硫基)乙酰胺
Property Insights of 2-(苄硫基)乙酰胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(苄硫基)乙酰胺. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(苄硫基)乙酰胺. Following Lipinski's Rule of Five, 2-(苄硫基)乙酰胺 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 2-(苄硫基)乙酰胺?
The CAS number of 2-(苄硫基)乙酰胺 is 54744-70-6.
What is the molecular formula of 2-(苄硫基)乙酰胺?
The molecular formula of 2-(苄硫基)乙酰胺 is C9H11NOS.
What is the molecular weight of 2-(苄硫基)乙酰胺?
The molecular weight of 2-(苄硫基)乙酰胺 is 181.06 g/mol.
Where can I buy 2-(苄硫基)乙酰胺?
You can request a quote for 2-(苄硫基)乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(苄硫基)乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-(苄硫基)乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.