1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one
TL;DR: 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one (CAS 63017-89-0) is a chemical compound with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one
Also Known As: 1-methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one, 1-methyl-3,3-bis(methylsulfanyl)-2-pyrrolidinone, 1-methyl-3,3-bis(methylsulfanyl)-pyrrolidin-2-one
| Molecular Formula | C7H13NOS2 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.04385 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 63017-89-0 |
|---|---|
| SMILES | CN1CCC(C1=O)(SC)SC |
| InChIKey | SWBCUHQKMZPBDS-UHFFFAOYSA-N |
Product Overview
1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one (CAS 63017-89-0), with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol. IUPAC: 1-methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one.
Chemical Property Profile of 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one
Property Insights of 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one. Following Lipinski's Rule of Five, 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one has 0 hydrogen bond donor(s) and 3 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 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one?
The CAS number of 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one is 63017-89-0.
What is the molecular formula of 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one?
The molecular formula of 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one is C7H13NOS2.
What is the molecular weight of 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one?
The molecular weight of 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one is 191.04 g/mol.
Where can I buy 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one?
You can request a quote for 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.