delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-
TL;DR: delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- (CAS 5324-38-9) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: DivK1c_005118, CDS1_004078, 2-Hydroxymethyl-4-phenyl-1,2,4-triazoline-3-thione, 5-26-04-00038 (Beilstein Handbook Reference), delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 5324-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NN(C2=S)CO |
| InChIKey | SWFDWVVMDCPISH-UHFFFAOYSA-N |
Product Overview
delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- (CAS 5324-38-9), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 2-(hydroxymethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-
Property Insights of delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-. Following Lipinski's Rule of Five, delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-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 delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
The CAS number of delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- is 5324-38-9.
What is the molecular formula of delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
The molecular formula of delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- is C9H9N3OS.
What is the molecular weight of delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
The molecular weight of delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- is 207.05 g/mol.
Where can I buy delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
You can request a quote for delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.