2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide
TL;DR: 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide (CAS 956202-58-7) is a chemical compound with molecular formula C13H15NO2S2 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-(2-oxothiolan-3-yl)acetamide
Also Known As: 2-benzylsulfanyl-N-(2-oxothiolan-3-yl)acetamide, 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide, 2-(benzylthio)-N-(2-oxotetrahydro-3-thienyl)acetamide, 2-(BENZYLSULFANYL)-N-(2-OXOTHIOLAN-3-YL)ACETAMIDE, N-(2-oxo(3-3,4,5-trihydrothienyl))-2-(phenylmethylthio)acetamide
| Molecular Formula | C13H15NO2S2 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 2.0681 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.0544 |
| Heavy Atoms | 18 |
| Complexity | 422.25925 |
Chemical Identifiers
| CAS Number | 956202-58-7 |
|---|---|
| SMILES | C1CSC(=O)C1NC(=O)CSCC2=CC=CC=C2 |
Product Overview
2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide (CAS 956202-58-7), with molecular formula C13H15NO2S2 and molecular weight 281.05 g/mol. IUPAC: 2-benzylsulfanyl-N-(2-oxothiolan-3-yl)acetamide.
Chemical Property Profile of 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide
Property Insights of 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide
The XLogP value of 2.0681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide. With a topological polar surface area (TPSA) of 46.17 Ų, 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide has 1 hydrogen bond donor(s) and 4 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-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide?
The CAS number of 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide is 956202-58-7.
What is the molecular formula of 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide?
The molecular formula of 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide is C13H15NO2S2.
What is the molecular weight of 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide?
The molecular weight of 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide is 281.05 g/mol.
Where can I buy 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide?
You can request a quote for 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.