2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-
TL;DR: 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- (CAS 35418-39-4) is a chemical compound with molecular formula C12H15NS and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-4-phenylpyrrolidine-2-thione
Also Known As: 5,5-Dimethyl-4-phenyl-2-pyrrolidinethione, 5,5-dimethyl-4-phenylpyrrolidine-2-thione, 5,5-dimethyl-4-phenyl-pyrrolidine-2-thione, 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-, 5,5-Dimethyl-4-phenyl-2-pyrrolidinethione #
| Molecular Formula | C12H15NS |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 2.8695 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.09251 |
| Heavy Atoms | 14 |
| Complexity | 342.59918 |
Chemical Identifiers
| CAS Number | 35418-39-4 |
|---|---|
| SMILES | CC1(C(CC(=S)N1)C2=CC=CC=C2)C |
Product Overview
2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- (CAS 35418-39-4), with molecular formula C12H15NS and molecular weight 205.09 g/mol. IUPAC: 5,5-dimethyl-4-phenylpyrrolidine-2-thione.
Chemical Property Profile of 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-
Property Insights of 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-
The XLogP value of 2.8695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-. With a topological polar surface area (TPSA) of 12.03 Ų, 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- 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 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-?
The CAS number of 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- is 35418-39-4.
What is the molecular formula of 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-?
The molecular formula of 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- is C12H15NS.
What is the molecular weight of 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-?
The molecular weight of 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- is 205.09 g/mol.
Where can I buy 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-?
You can request a quote for 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinethione, 5,5-dimethyl-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.