N-butyl-2-phenylethanethioamide
TL;DR: N-butyl-2-phenylethanethioamide (CAS 22871-49-4) is a chemical compound with molecular formula C12H17NS and molecular weight 207.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-phenylethanethioamide
Also Known As: N-butyl-2-phenylethanethioamide, N-Butylbenzenethioacetamide, N-n-Butyl-phenylthioacetamid, N-butyl-2-phenyl-thioacetamide, N-butyl-2-phenyl-ethanethioamide
| Molecular Formula | C12H17NS |
|---|---|
| Molecular Weight | 207.11 g/mol |
| LogP | 2.9462 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.10817 |
| Heavy Atoms | 14 |
| Complexity | 268.91003 |
Chemical Identifiers
| CAS Number | 22871-49-4 |
|---|---|
| SMILES | CCCCNC(=S)CC1=CC=CC=C1 |
Product Overview
N-butyl-2-phenylethanethioamide (CAS 22871-49-4), with molecular formula C12H17NS and molecular weight 207.11 g/mol. IUPAC: N-butyl-2-phenylethanethioamide.
Chemical Property Profile of N-butyl-2-phenylethanethioamide
Property Insights of N-butyl-2-phenylethanethioamide
The XLogP value of 2.9462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-phenylethanethioamide. With a topological polar surface area (TPSA) of 12.03 Ų, N-butyl-2-phenylethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-2-phenylethanethioamide has 1 hydrogen bond donor(s) and 1 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-butyl-2-phenylethanethioamide?
The CAS number of N-butyl-2-phenylethanethioamide is 22871-49-4.
What is the molecular formula of N-butyl-2-phenylethanethioamide?
The molecular formula of N-butyl-2-phenylethanethioamide is C12H17NS.
What is the molecular weight of N-butyl-2-phenylethanethioamide?
The molecular weight of N-butyl-2-phenylethanethioamide is 207.11 g/mol.
Where can I buy N-butyl-2-phenylethanethioamide?
You can request a quote for N-butyl-2-phenylethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-phenylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-phenylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.