2-(2-Oxoazepan-1-yl)ethanethioamide
TL;DR: 2-(2-Oxoazepan-1-yl)ethanethioamide (CAS 172365-89-8) is a chemical compound with molecular formula C8H14N2OS and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxoazepan-1-yl)ethanethioamide
Also Known As: 2-(2-oxoazepan-1-yl)ethanethioamide, 2-(2-oxo-1-azepanyl)ethanethioamide, AH-262/34230046
| Molecular Formula | C8H14N2OS |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 0.6751 |
| Topological Polar Surface Area | 46.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.08269 |
| Heavy Atoms | 12 |
| Complexity | 193.49689 |
Chemical Identifiers
| CAS Number | 172365-89-8 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)CC(=S)N |
Product Overview
2-(2-Oxoazepan-1-yl)ethanethioamide (CAS 172365-89-8), with molecular formula C8H14N2OS and molecular weight 186.08 g/mol. IUPAC: 2-(2-oxoazepan-1-yl)ethanethioamide.
Chemical Property Profile of 2-(2-Oxoazepan-1-yl)ethanethioamide
Property Insights of 2-(2-Oxoazepan-1-yl)ethanethioamide
The XLogP value of 0.6751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Oxoazepan-1-yl)ethanethioamide. With a topological polar surface area (TPSA) of 46.33 Ų, 2-(2-Oxoazepan-1-yl)ethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Oxoazepan-1-yl)ethanethioamide 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-(2-Oxoazepan-1-yl)ethanethioamide?
The CAS number of 2-(2-Oxoazepan-1-yl)ethanethioamide is 172365-89-8.
What is the molecular formula of 2-(2-Oxoazepan-1-yl)ethanethioamide?
The molecular formula of 2-(2-Oxoazepan-1-yl)ethanethioamide is C8H14N2OS.
What is the molecular weight of 2-(2-Oxoazepan-1-yl)ethanethioamide?
The molecular weight of 2-(2-Oxoazepan-1-yl)ethanethioamide is 186.08 g/mol.
Where can I buy 2-(2-Oxoazepan-1-yl)ethanethioamide?
You can request a quote for 2-(2-Oxoazepan-1-yl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Oxoazepan-1-yl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Oxoazepan-1-yl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.