4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one
TL;DR: 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one (CAS 77611-54-2) is a chemical compound with molecular formula C6H9NOS and molecular weight 143.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-5-sulfanylidenepyrrolidin-3-one
Also Known As: 4,4-dimethyl-5-sulfanylidenepyrrolidin-3-one, 3-Pyrrolidinone, 4,4-dimethyl-5-thioxo-, 4,4-Dimethyl-5-thioxo-3-pyrrolidinone, 4,4-Dimethyl-5-thioxopyrrolidin-3-one, 4,4-Dimethyl-5-thioxo-3-pyrrolidinone #
| Molecular Formula | C6H9NOS |
|---|---|
| Molecular Weight | 143.04 g/mol |
| LogP | 0.5123 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.04048 |
| Heavy Atoms | 9 |
| Complexity | 155.89667 |
Chemical Identifiers
| CAS Number | 77611-54-2 |
|---|---|
| SMILES | CC1(C(=O)CNC1=S)C |
Product Overview
4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one (CAS 77611-54-2), with molecular formula C6H9NOS and molecular weight 143.04 g/mol. IUPAC: 4,4-dimethyl-5-sulfanylidenepyrrolidin-3-one.
Chemical Property Profile of 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one
Property Insights of 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one
The XLogP value of 0.5123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one. With a topological polar surface area (TPSA) of 29.1 Ų, 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one 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 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one?
The CAS number of 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one is 77611-54-2.
What is the molecular formula of 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one?
The molecular formula of 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one is C6H9NOS.
What is the molecular weight of 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one?
The molecular weight of 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one is 143.04 g/mol.
Where can I buy 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one?
You can request a quote for 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-5-sulfanylidenepyrrolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.