2-(benzylsulfanyl)-N-tert-butylacetamide
TL;DR: 2-(benzylsulfanyl)-N-tert-butylacetamide (CAS 392313-49-4) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-tert-butylacetamide
Also Known As: 2-(benzylsulfanyl)-N-tert-butylacetamide, 2-benzylsulfanyl-N-tert-butylacetamide, 2-benzylsulfanyl-N-tert-butyl-acetamide, N-(tert-butyl)-2-(phenylmethylthio)acetamide
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 2.8345 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 329.53586 |
Chemical Identifiers
| CAS Number | 392313-49-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSCC1=CC=CC=C1 |
Product Overview
2-(benzylsulfanyl)-N-tert-butylacetamide (CAS 392313-49-4), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: 2-benzylsulfanyl-N-tert-butylacetamide.
Chemical Property Profile of 2-(benzylsulfanyl)-N-tert-butylacetamide
Property Insights of 2-(benzylsulfanyl)-N-tert-butylacetamide
The XLogP value of 2.8345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylsulfanyl)-N-tert-butylacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(benzylsulfanyl)-N-tert-butylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-N-tert-butylacetamide 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-(benzylsulfanyl)-N-tert-butylacetamide?
The CAS number of 2-(benzylsulfanyl)-N-tert-butylacetamide is 392313-49-4.
What is the molecular formula of 2-(benzylsulfanyl)-N-tert-butylacetamide?
The molecular formula of 2-(benzylsulfanyl)-N-tert-butylacetamide is C13H19NOS.
What is the molecular weight of 2-(benzylsulfanyl)-N-tert-butylacetamide?
The molecular weight of 2-(benzylsulfanyl)-N-tert-butylacetamide is 237.12 g/mol.
Where can I buy 2-(benzylsulfanyl)-N-tert-butylacetamide?
You can request a quote for 2-(benzylsulfanyl)-N-tert-butylacetamide 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-tert-butylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-N-tert-butylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.