1,3,3-Trimethylindole-2-thione
TL;DR: 1,3,3-Trimethylindole-2-thione (CAS 13637-42-8) is a chemical compound with molecular formula C11H13NS and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethylindole-2-thione
Also Known As: 1,3,3-Trimethylindoline-2-thione, 1,3,3-trimethylindole-2-thione, J1.500.077E, 1,3,3-trimethyl-2,3-dihydro-1H-indole-2-thione
| Molecular Formula | C11H13NS |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | 2.7414 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.07687 |
| Heavy Atoms | 13 |
| Complexity | 368.10797 |
Chemical Identifiers
| CAS Number | 13637-42-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C1=S)C)C |
Product Overview
1,3,3-Trimethylindole-2-thione (CAS 13637-42-8), with molecular formula C11H13NS and molecular weight 191.08 g/mol. IUPAC: 1,3,3-trimethylindole-2-thione.
Chemical Property Profile of 1,3,3-Trimethylindole-2-thione
Property Insights of 1,3,3-Trimethylindole-2-thione
The XLogP value of 2.7414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Trimethylindole-2-thione. With a topological polar surface area (TPSA) of 3.24 Ų, 1,3,3-Trimethylindole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethylindole-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 1,3,3-Trimethylindole-2-thione?
The CAS number of 1,3,3-Trimethylindole-2-thione is 13637-42-8.
What is the molecular formula of 1,3,3-Trimethylindole-2-thione?
The molecular formula of 1,3,3-Trimethylindole-2-thione is C11H13NS.
What is the molecular weight of 1,3,3-Trimethylindole-2-thione?
The molecular weight of 1,3,3-Trimethylindole-2-thione is 191.08 g/mol.
Where can I buy 1,3,3-Trimethylindole-2-thione?
You can request a quote for 1,3,3-Trimethylindole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethylindole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethylindole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.