2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-
TL;DR: 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- (CAS 112544-53-3) is a chemical compound with molecular formula C13H17NOS2 and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
Also Known As: 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-, 3-butyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione, 2-Thiazolidinethione,3-butyl-4-hydroxy-4-phenyl, RefChem:267278
| Molecular Formula | C13H17NOS2 |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 2.9655 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.07516 |
| Heavy Atoms | 17 |
| Complexity | 395.66574 |
Chemical Identifiers
| CAS Number | 112544-53-3 |
|---|---|
| SMILES | CCCCN1C(=S)SCC1(C2=CC=CC=C2)O |
Product Overview
2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- (CAS 112544-53-3), with molecular formula C13H17NOS2 and molecular weight 267.08 g/mol. IUPAC: 3-butyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione.
Chemical Property Profile of 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-
Property Insights of 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-
The XLogP value of 2.9655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-. With a topological polar surface area (TPSA) of 23.47 Ų, 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- has 1 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 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-?
The CAS number of 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- is 112544-53-3.
What is the molecular formula of 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-?
The molecular formula of 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- is C13H17NOS2.
What is the molecular weight of 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-?
The molecular weight of 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- is 267.08 g/mol.
Where can I buy 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-?
You can request a quote for 2-Thiazolidinethione, 3-butyl-4-hydroxy-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-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.