1-乙基-1H-吲哚-3-硫醇
TL;DR: 1-乙基-1H-吲哚-3-硫醇 (CAS 70447-24-4) is a chemical compound with molecular formula C10H11NS and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-乙基-1H-吲哚-3-硫醇
1-ethylindole-3-thiol
Also Known As: 1-Ethyl-1H-indole-3-thiol, 1-ethylindole-3-thiol, 1-ethyl-indole-3-thiol, 1H-INDOLE-3-THIOL, 1-ETHYL-, 1-ethyl-3-mercaptoin-dole
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 70447-24-4 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)S |
| InChIKey | BGJGSYKIRQMBSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-乙基-1H-吲哚-3-硫醇 (CAS 70447-24-4), with molecular formula C10H11NS and molecular weight 177.06 g/mol. IUPAC: 1-ethylindole-3-thiol.
Chemical Property Profile of 1-乙基-1H-吲哚-3-硫醇
Property Insights of 1-乙基-1H-吲哚-3-硫醇
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-乙基-1H-吲哚-3-硫醇. With a topological polar surface area (TPSA) of 5.9 Ų, 1-乙基-1H-吲哚-3-硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-乙基-1H-吲哚-3-硫醇 has 1 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-乙基-1H-吲哚-3-硫醇?
The CAS number of 1-乙基-1H-吲哚-3-硫醇 is 70447-24-4.
What is the molecular formula of 1-乙基-1H-吲哚-3-硫醇?
The molecular formula of 1-乙基-1H-吲哚-3-硫醇 is C10H11NS.
What is the molecular weight of 1-乙基-1H-吲哚-3-硫醇?
The molecular weight of 1-乙基-1H-吲哚-3-硫醇 is 177.06 g/mol.
Where can I buy 1-乙基-1H-吲哚-3-硫醇?
You can request a quote for 1-乙基-1H-吲哚-3-硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-乙基-1H-吲哚-3-硫醇?
Yes, KEHONG BIO provides custom synthesis services for 1-乙基-1H-吲哚-3-硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.