1,3-Dihydro-1-methyl-2H-indole-2-thione
TL;DR: 1,3-Dihydro-1-methyl-2H-indole-2-thione (CAS 13637-38-2) is a chemical compound with molecular formula C9H9NS and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3H-indole-2-thione
Also Known As: 1-Methylindoline-2-thione, 1-Methyl-2-indolinethione, 1-methylindolethione, 1-methyl-3H-indole-2-thione, N-methyl thio-oxindole
| Molecular Formula | C9H9NS |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.04558 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 13637-38-2 |
|---|---|
| SMILES | CN1C(=S)CC2=CC=CC=C21 |
| InChIKey | GBSPZRWQIJCQQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-1-methyl-2H-indole-2-thione (CAS 13637-38-2), with molecular formula C9H9NS and molecular weight 163.05 g/mol. IUPAC: 1-methyl-3H-indole-2-thione.
Chemical Property Profile of 1,3-Dihydro-1-methyl-2H-indole-2-thione
Property Insights of 1,3-Dihydro-1-methyl-2H-indole-2-thione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-1-methyl-2H-indole-2-thione. With a topological polar surface area (TPSA) of 35.3 Ų, 1,3-Dihydro-1-methyl-2H-indole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-1-methyl-2H-indole-2-thione has 0 hydrogen bond donor(s) and 1 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 1,3-Dihydro-1-methyl-2H-indole-2-thione?
The CAS number of 1,3-Dihydro-1-methyl-2H-indole-2-thione is 13637-38-2.
What is the molecular formula of 1,3-Dihydro-1-methyl-2H-indole-2-thione?
The molecular formula of 1,3-Dihydro-1-methyl-2H-indole-2-thione is C9H9NS.
What is the molecular weight of 1,3-Dihydro-1-methyl-2H-indole-2-thione?
The molecular weight of 1,3-Dihydro-1-methyl-2H-indole-2-thione is 163.05 g/mol.
Where can I buy 1,3-Dihydro-1-methyl-2H-indole-2-thione?
You can request a quote for 1,3-Dihydro-1-methyl-2H-indole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-1-methyl-2H-indole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-1-methyl-2H-indole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.