![S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate structure](/static/products/3589/35891-41-9.webp)
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
TL;DR: S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate (CAS 35891-41-9) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
Also Known As: S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate, 1-(1-indol-3-yl-2-nitroethylthio)ethan-1-one, S-(1-(1H-indol-3-yl)-2-nitroethyl) ethanethioate, 1-{[1-(1H-INDOL-3-YL)-2-NITROETHYL]SULFANYL}ETHANONE, 1-{[1-(1H-INDOL-3-YL)-2-NITROETHYL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.7654 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 577.77496 |
Chemical Identifiers
| CAS Number | 35891-41-9 |
|---|---|
| SMILES | CC(=O)SC(C[N+](=O)[O-])C1=CNC2=CC=CC=C21 |
Product Overview
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate (CAS 35891-41-9), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate.
Chemical Property Profile of S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
Property Insights of S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
The XLogP value of 2.7654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate. Following Lipinski's Rule of Five, S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate 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 S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate?
The CAS number of S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate is 35891-41-9.
What is the molecular formula of S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate?
The molecular formula of S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate is C12H12N2O3S.
What is the molecular weight of S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate?
The molecular weight of S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate is 264.06 g/mol.
Where can I buy S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate?
You can request a quote for S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.