![[(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid structure](/static/products/649/6499-13-4.png)
[(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid
TL;DR: [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid (CAS 6499-13-4) is a chemical compound with molecular formula C9H15NO2S2 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepane-1-carbothioylsulfanyl)acetic acid
Also Known As: 2-(azepane-1-carbothioylsulfanyl)acetic Acid, 2-((azepane-1-carbonothioyl)thio)acetic acid, [(azepan-1-ylcarbonothioyl)sulfanyl]acetic acid
| Molecular Formula | C9H15NO2S2 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 1.9651 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.05443 |
| Heavy Atoms | 14 |
| Complexity | 212.8575 |
Chemical Identifiers
| CAS Number | 6499-13-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)SCC(=O)O |
Product Overview
[(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid (CAS 6499-13-4), with molecular formula C9H15NO2S2 and molecular weight 233.05 g/mol. IUPAC: 2-(azepane-1-carbothioylsulfanyl)acetic acid.
Chemical Property Profile of [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid
Property Insights of [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid
The XLogP value of 1.9651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid. With a topological polar surface area (TPSA) of 40.54 Ų, [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 3 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 [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid?
The CAS number of [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid is 6499-13-4.
What is the molecular formula of [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid?
The molecular formula of [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid is C9H15NO2S2.
What is the molecular weight of [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid?
The molecular weight of [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid is 233.05 g/mol.
Where can I buy [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid?
You can request a quote for [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(Azepan-1-ylcarbonothioyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.