2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid
TL;DR: 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid (CAS 149286-92-0) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-2-sulfanylidene-3H-indol-3-yl)acetic acid
Also Known As: 2-thioxo-1H-indole-3-alkanoic acid deriv. 6, 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid, 1-Methyl-2-thioxo-2,3-dihydro-1H-indole-3-acetic acid, 2-(1-methyl-2-sulfanylidene-3H-indol-3-yl)acetic acid, 2-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetic acid
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.0221 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 430.351 |
Chemical Identifiers
| CAS Number | 149286-92-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C1=S)CC(=O)O |
Product Overview
2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid (CAS 149286-92-0), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 2-(1-methyl-2-sulfanylidene-3H-indol-3-yl)acetic acid.
Chemical Property Profile of 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid
Property Insights of 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid
The XLogP value of 2.0221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid. With a topological polar surface area (TPSA) of 40.54 Ų, 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid has 1 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 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid?
The CAS number of 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid is 149286-92-0.
What is the molecular formula of 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid?
The molecular formula of 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid is C11H11NO2S.
What is the molecular weight of 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid?
The molecular weight of 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid is 221.05 g/mol.
Where can I buy 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid?
You can request a quote for 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.