1-Prop-2-enylazepane-2-thione
TL;DR: 1-Prop-2-enylazepane-2-thione (CAS 1558-76-5) is a chemical compound with molecular formula C9H15NS and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylazepane-2-thione
Also Known As: N-allylthiocaprolactam, 1-prop-2-enylazepane-2-thione, 1-Allyl-2-azepanethione, 1-Allyl-2-azepanethione #, 1-Allylhexahydro-2H-azepine-2-thione
| Molecular Formula | C9H15NS |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.09251 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 1558-76-5 |
|---|---|
| SMILES | C=CCN1CCCCCC1=S |
| InChIKey | OQERJLDPEGSOCB-UHFFFAOYSA-N |
Product Overview
1-Prop-2-enylazepane-2-thione (CAS 1558-76-5), with molecular formula C9H15NS and molecular weight 169.09 g/mol. IUPAC: 1-prop-2-enylazepane-2-thione.
Chemical Property Profile of 1-Prop-2-enylazepane-2-thione
Property Insights of 1-Prop-2-enylazepane-2-thione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Prop-2-enylazepane-2-thione. With a topological polar surface area (TPSA) of 35.3 Ų, 1-Prop-2-enylazepane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Prop-2-enylazepane-2-thione has 0 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 1-Prop-2-enylazepane-2-thione?
The CAS number of 1-Prop-2-enylazepane-2-thione is 1558-76-5.
What is the molecular formula of 1-Prop-2-enylazepane-2-thione?
The molecular formula of 1-Prop-2-enylazepane-2-thione is C9H15NS.
What is the molecular weight of 1-Prop-2-enylazepane-2-thione?
The molecular weight of 1-Prop-2-enylazepane-2-thione is 169.09 g/mol.
Where can I buy 1-Prop-2-enylazepane-2-thione?
You can request a quote for 1-Prop-2-enylazepane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Prop-2-enylazepane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-Prop-2-enylazepane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.