Pyrrolidin-2-thione, 5-heptyl-
TL;DR: Pyrrolidin-2-thione, 5-heptyl- (CAS 116454-75-2) is a chemical compound with molecular formula C11H21NS and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptylpyrrolidine-2-thione
Also Known As: 5-heptylpyrrolidine-2-thione, 5-Heptyl-2-pyrrolidinethione, 5-Heptyl-2-pyrrolidinethione #, Pyrrolidin-2-thione, 5-heptyl-
| Molecular Formula | C11H21NS |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 3.4263 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 199.13947 |
| Heavy Atoms | 13 |
| Complexity | 156.16927 |
Chemical Identifiers
| CAS Number | 116454-75-2 |
|---|---|
| SMILES | CCCCCCCC1CCC(=S)N1 |
Product Overview
Pyrrolidin-2-thione, 5-heptyl- (CAS 116454-75-2), with molecular formula C11H21NS and molecular weight 199.14 g/mol. IUPAC: 5-heptylpyrrolidine-2-thione.
Chemical Property Profile of Pyrrolidin-2-thione, 5-heptyl-
Property Insights of Pyrrolidin-2-thione, 5-heptyl-
The XLogP value of 3.4263 indicates that Pyrrolidin-2-thione, 5-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Pyrrolidin-2-thione, 5-heptyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidin-2-thione, 5-heptyl- 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 Pyrrolidin-2-thione, 5-heptyl-?
The CAS number of Pyrrolidin-2-thione, 5-heptyl- is 116454-75-2.
What is the molecular formula of Pyrrolidin-2-thione, 5-heptyl-?
The molecular formula of Pyrrolidin-2-thione, 5-heptyl- is C11H21NS.
What is the molecular weight of Pyrrolidin-2-thione, 5-heptyl-?
The molecular weight of Pyrrolidin-2-thione, 5-heptyl- is 199.14 g/mol.
Where can I buy Pyrrolidin-2-thione, 5-heptyl-?
You can request a quote for Pyrrolidin-2-thione, 5-heptyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidin-2-thione, 5-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidin-2-thione, 5-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.