S-propyl hexahydro-1H-azepine-1-carbothioate
TL;DR: S-propyl hexahydro-1H-azepine-1-carbothioate (CAS 3134-66-5) is a chemical compound with molecular formula C10H19NOS and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl azepane-1-carbothioate
Also Known As: s-propyl azepane-1-carbothioate, S-Propyl hexahydro-1H-azepine-1-carbothioate, (azepan-1-yl)(propylsulfanyl)methanone, Hexahydro-1H-azepine-1-carbothioic acid S-propyl ester, 221-530-0
| Molecular Formula | C10H19NOS |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.11873 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 3134-66-5 |
|---|---|
| SMILES | CCCSC(=O)N1CCCCCC1 |
| InChIKey | CCHAJHCNTVMJPW-UHFFFAOYSA-N |
Product Overview
S-propyl hexahydro-1H-azepine-1-carbothioate (CAS 3134-66-5), with molecular formula C10H19NOS and molecular weight 201.12 g/mol. IUPAC: S-propyl azepane-1-carbothioate.
Chemical Property Profile of S-propyl hexahydro-1H-azepine-1-carbothioate
Property Insights of S-propyl hexahydro-1H-azepine-1-carbothioate
The XLogP value of 3.7 indicates that S-propyl hexahydro-1H-azepine-1-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-propyl hexahydro-1H-azepine-1-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-propyl hexahydro-1H-azepine-1-carbothioate has 0 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 S-propyl hexahydro-1H-azepine-1-carbothioate?
The CAS number of S-propyl hexahydro-1H-azepine-1-carbothioate is 3134-66-5.
What is the molecular formula of S-propyl hexahydro-1H-azepine-1-carbothioate?
The molecular formula of S-propyl hexahydro-1H-azepine-1-carbothioate is C10H19NOS.
What is the molecular weight of S-propyl hexahydro-1H-azepine-1-carbothioate?
The molecular weight of S-propyl hexahydro-1H-azepine-1-carbothioate is 201.12 g/mol.
Where can I buy S-propyl hexahydro-1H-azepine-1-carbothioate?
You can request a quote for S-propyl hexahydro-1H-azepine-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-propyl hexahydro-1H-azepine-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-propyl hexahydro-1H-azepine-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.