Thiocaprolactam
TL;DR: Thiocaprolactam (CAS 7203-96-5) 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.
azepane-2-thione
Also Known As: azepane-2-thione, Thiocaprolactam, 2-Thioxohexamethyleneimine, Hexahydro-2H-azepine-2-thione, epsilon-Thiocaprolactam
| Molecular Formula | C6H11NS |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 1.4774 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 80.52933 |
Chemical Identifiers
| CAS Number | 7203-96-5 |
|---|---|
| SMILES | C1CCC(=S)NCC1 |
Product Overview
Thiocaprolactam (CAS 7203-96-5), with molecular formula C6H11NS and molecular weight 129.06 g/mol. IUPAC: azepane-2-thione.
Chemical Property Profile of Thiocaprolactam
Property Insights of Thiocaprolactam
The XLogP value of 1.4774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocaprolactam. With a topological polar surface area (TPSA) of 12.03 Ų, Thiocaprolactam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocaprolactam 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 Thiocaprolactam?
The CAS number of Thiocaprolactam is 7203-96-5.
What is the molecular formula of Thiocaprolactam?
The molecular formula of Thiocaprolactam is C6H11NS.
What is the molecular weight of Thiocaprolactam?
The molecular weight of Thiocaprolactam is 129.06 g/mol.
Where can I buy Thiocaprolactam?
You can request a quote for Thiocaprolactam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocaprolactam?
Yes, KEHONG BIO provides custom synthesis services for Thiocaprolactam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.