N-but-3-en-2-ylethanethioamide
TL;DR: N-but-3-en-2-ylethanethioamide (CAS 7472-34-6) is a chemical compound with molecular formula C6H11NS and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-but-3-en-2-ylethanethioamide
Also Known As: N-but-3-en-2-ylethanethioamide, N-(But-3-en-2-yl)ethanethioamide
| Molecular Formula | C6H11NS |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 1.4978 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 98.70166 |
Chemical Identifiers
| CAS Number | 7472-34-6 |
|---|---|
| SMILES | CC(C=C)NC(=S)C |
Product Overview
N-but-3-en-2-ylethanethioamide (CAS 7472-34-6), with molecular formula C6H11NS and molecular weight 129.06 g/mol. IUPAC: N-but-3-en-2-ylethanethioamide.
Chemical Property Profile of N-but-3-en-2-ylethanethioamide
Property Insights of N-but-3-en-2-ylethanethioamide
The XLogP value of 1.4978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-but-3-en-2-ylethanethioamide. With a topological polar surface area (TPSA) of 12.03 Ų, N-but-3-en-2-ylethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-but-3-en-2-ylethanethioamide 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-but-3-en-2-ylethanethioamide?
The CAS number of N-but-3-en-2-ylethanethioamide is 7472-34-6.
What is the molecular formula of N-but-3-en-2-ylethanethioamide?
The molecular formula of N-but-3-en-2-ylethanethioamide is C6H11NS.
What is the molecular weight of N-but-3-en-2-ylethanethioamide?
The molecular weight of N-but-3-en-2-ylethanethioamide is 129.06 g/mol.
Where can I buy N-but-3-en-2-ylethanethioamide?
You can request a quote for N-but-3-en-2-ylethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-but-3-en-2-ylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-but-3-en-2-ylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.