![[(1-methyl-1H-indol-3-yl)thio]acetic acid structure](/static/products/1870/187030-12-2.webp)
[(1-methyl-1H-indol-3-yl)thio]acetic acid
TL;DR: [(1-methyl-1H-indol-3-yl)thio]acetic acid (CAS 187030-12-2) 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-methylindol-3-yl)sulfanylacetic acid
Also Known As: [(1-methyl-1H-indol-3-yl)thio]acetic acid|ChemDiv2_002657|CBKinase1_002197|CBKinase1_014597|2-(1-methylindol-3-yl)sulfanylacetic acid|Oprea1_433171|ZERO/001799|2-((1-Methyl-1H-indol-3-yl)thio)acetic acid|[(1-methylindol-3-yl)sulfanyl]acetic acid|[(1-methyl-1H-indol-3-yl)sulfanyl]acetic acid|2-(1-methylindol-3-ylthio)acetic acid|(1-methylindol-3-ylsulfanyl)acetic acid|2-((1-Methyl-1H-indol-3-yl)thio)aceticacid|2-[(1-methyl-1H-indol-3-yl)sulfanyl]acetic acid|(1-Methyl-1H-indol-3-ylsulfanyl)-acetic acid|Acetic acid, [(1-methyl-1H-indol-3-yl)thio]-|BRD-K62064357-001-01-3|MFCD03410207|MLS000530948|DVPGVQNKZXBQPX-UHFFFAOYSA-N
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 187030-12-2 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)SCC(=O)O |
| InChIKey | DVPGVQNKZXBQPX-UHFFFAOYSA-N |
Product Overview
[(1-methyl-1H-indol-3-yl)thio]acetic acid (CAS 187030-12-2), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 2-(1-methylindol-3-yl)sulfanylacetic acid.
Chemical Property Profile of [(1-methyl-1H-indol-3-yl)thio]acetic acid
Property Insights of [(1-methyl-1H-indol-3-yl)thio]acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-methyl-1H-indol-3-yl)thio]acetic acid. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-methyl-1H-indol-3-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(1-methyl-1H-indol-3-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 3 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-methyl-1H-indol-3-yl)thio]acetic acid?
The CAS number of [(1-methyl-1H-indol-3-yl)thio]acetic acid is 187030-12-2.
What is the molecular formula of [(1-methyl-1H-indol-3-yl)thio]acetic acid?
The molecular formula of [(1-methyl-1H-indol-3-yl)thio]acetic acid is C11H11NO2S.
What is the molecular weight of [(1-methyl-1H-indol-3-yl)thio]acetic acid?
The molecular weight of [(1-methyl-1H-indol-3-yl)thio]acetic acid is 221.05 g/mol.
Where can I buy [(1-methyl-1H-indol-3-yl)thio]acetic acid?
You can request a quote for [(1-methyl-1H-indol-3-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-methyl-1H-indol-3-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(1-methyl-1H-indol-3-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.