2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one
TL;DR: 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one (CAS 97051-27-9) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3-prop-2-ynyl-1,3,4-thiadiazol-2-one
Also Known As: 2-phenyl-4-propargyl-1,3,4-thiadiazolin-5-one, 5-phenyl-3-prop-2-ynyl-1,3,4-thiadiazol-2-one, InChI=1/C11H8N2OS/c1-2-8-13-11(14)15-10(12-13)9-6-4-3-5-7-9/h1,3-7H,8H
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.605 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 547.95715 |
Chemical Identifiers
| CAS Number | 97051-27-9 |
|---|---|
| SMILES | C#CCN1C(=O)SC(=N1)C2=CC=CC=C2 |
Product Overview
2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one (CAS 97051-27-9), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 5-phenyl-3-prop-2-ynyl-1,3,4-thiadiazol-2-one.
Chemical Property Profile of 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one
Property Insights of 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one
The XLogP value of 1.605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-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 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one?
The CAS number of 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one is 97051-27-9.
What is the molecular formula of 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one?
The molecular formula of 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one is C11H8N2OS.
What is the molecular weight of 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one?
The molecular weight of 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one is 216.04 g/mol.
Where can I buy 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one?
You can request a quote for 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-propargyl-1,3,4-thiadiazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.