![1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one structure](/static/products/618/618441-49-9.png)
1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
TL;DR: 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one (CAS 618441-49-9) is a chemical compound with molecular formula C11H13N5OS and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
Also Known As: 1-[(4-amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one, 1-((4-amino-5-anilino-4h-1,2,4-triazol-3-yl)thio)acetone
| Molecular Formula | C11H13N5OS |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.4166 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.08408 |
| Heavy Atoms | 18 |
| Complexity | 539.6215 |
Chemical Identifiers
| CAS Number | 618441-49-9 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(N1N)NC2=CC=CC=C2 |
Product Overview
1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one (CAS 618441-49-9), with molecular formula C11H13N5OS and molecular weight 263.08 g/mol. IUPAC: 1-[(4-amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one.
Chemical Property Profile of 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
Property Insights of 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
The XLogP value of 1.4166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one. Following Lipinski's Rule of Five, 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one has 2 hydrogen bond donor(s) and 6 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 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one?
The CAS number of 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one is 618441-49-9.
What is the molecular formula of 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one?
The molecular formula of 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one is C11H13N5OS.
What is the molecular weight of 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one?
The molecular weight of 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one is 263.08 g/mol.
Where can I buy 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one?
You can request a quote for 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.