2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one
TL;DR: 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one (CAS 327980-34-7) is a chemical compound with molecular formula C12H12N4OS and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: BAS 02588990, 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one, AB00104920-01, AJ-292/15008864, 1-[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]indoline
| Molecular Formula | C12H12N4OS |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.07318 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 327980-34-7 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC=NN3 |
| InChIKey | PPUDGHYLORRMDI-UHFFFAOYSA-N |
Product Overview
2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one (CAS 327980-34-7), with molecular formula C12H12N4OS and molecular weight 260.07 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one
Property Insights of 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one. Following Lipinski's Rule of Five, 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one has 1 hydrogen bond donor(s) and 4 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-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one?
The CAS number of 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one is 327980-34-7.
What is the molecular formula of 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one?
The molecular formula of 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one is C12H12N4OS.
What is the molecular weight of 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one?
The molecular weight of 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one is 260.07 g/mol.
Where can I buy 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one?
You can request a quote for 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4H-1,2,4-triazol-3-ylthio)-1-indolinylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.