4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one
TL;DR: 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one (CAS 119482-69-8) 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.
4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: 4-Benzyl-5-thioxo-[1,2,4]triazolidin-3-one, Maybridge4_004456, 4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one, 4-benzyl-5-thioxo-1,2,4-triazolidin-3-one, 4-benzyl-5-sulfanyl-4H-1,2,4-triazol-3-ol
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.28229 |
| Topological Polar Surface Area | 53.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 495.23526 |
Chemical Identifiers
| CAS Number | 119482-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)NNC2=S |
Product Overview
4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one (CAS 119482-69-8), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one.
Chemical Property Profile of 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Property Insights of 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one
The XLogP value of 1.28229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one. With a topological polar surface area (TPSA) of 53.58 Ų, 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one has 2 hydrogen bond donor(s) and 2 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 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one?
The CAS number of 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one is 119482-69-8.
What is the molecular formula of 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one?
The molecular formula of 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one is C9H9N3OS.
What is the molecular weight of 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one?
The molecular weight of 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one is 207.05 g/mol.
Where can I buy 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one?
You can request a quote for 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.