5-Thioxo-2-pyrrolidinone
TL;DR: 5-Thioxo-2-pyrrolidinone (CAS 4166-00-1) is a chemical compound with molecular formula C4H5NOS and molecular weight 115.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanylidenepyrrolidin-2-one
Also Known As: Succinimide, thio-, Thiosuccinimide, Monothiosuccinimide, 5-Thioxopyrrolidin-2-one, 2-Thiosuccinimide
| Molecular Formula | C4H5NOS |
|---|---|
| Molecular Weight | 115.01 g/mol |
| LogP | 0.2238 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.009186 |
| Heavy Atoms | 7 |
| Complexity | 106.8582 |
Chemical Identifiers
| CAS Number | 4166-00-1 |
|---|---|
| SMILES | C1CC(=S)NC1=O |
Product Overview
5-Thioxo-2-pyrrolidinone (CAS 4166-00-1), with molecular formula C4H5NOS and molecular weight 115.01 g/mol. IUPAC: 5-sulfanylidenepyrrolidin-2-one.
Chemical Property Profile of 5-Thioxo-2-pyrrolidinone
Property Insights of 5-Thioxo-2-pyrrolidinone
The XLogP value of 0.2238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thioxo-2-pyrrolidinone. With a topological polar surface area (TPSA) of 29.1 Ų, 5-Thioxo-2-pyrrolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Thioxo-2-pyrrolidinone has 1 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 5-Thioxo-2-pyrrolidinone?
The CAS number of 5-Thioxo-2-pyrrolidinone is 4166-00-1.
What is the molecular formula of 5-Thioxo-2-pyrrolidinone?
The molecular formula of 5-Thioxo-2-pyrrolidinone is C4H5NOS.
What is the molecular weight of 5-Thioxo-2-pyrrolidinone?
The molecular weight of 5-Thioxo-2-pyrrolidinone is 115.01 g/mol.
Where can I buy 5-Thioxo-2-pyrrolidinone?
You can request a quote for 5-Thioxo-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thioxo-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Thioxo-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.