1H-Indole-3-thiol
TL;DR: 1H-Indole-3-thiol (CAS 480-94-4) is a chemical compound with molecular formula C8H7NS and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indole-3-thiol
Also Known As: 3-Mercaptoindole, 1H-INDOLE-3-THIOL, 1H-Indol-3-ylhydrosulfide, 3-Indoylthiol, 3-Indolethiol
| Molecular Formula | C8H7NS |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 16.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.02992 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 480-94-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)S |
| InChIKey | LYFRUBQVZGVXPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-3-thiol (CAS 480-94-4), with molecular formula C8H7NS and molecular weight 149.03 g/mol. IUPAC: 1H-indole-3-thiol.
Chemical Property Profile of 1H-Indole-3-thiol
Property Insights of 1H-Indole-3-thiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-thiol. With a topological polar surface area (TPSA) of 16.8 Ų, 1H-Indole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-thiol has 2 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 1H-Indole-3-thiol?
The CAS number of 1H-Indole-3-thiol is 480-94-4.
What is the molecular formula of 1H-Indole-3-thiol?
The molecular formula of 1H-Indole-3-thiol is C8H7NS.
What is the molecular weight of 1H-Indole-3-thiol?
The molecular weight of 1H-Indole-3-thiol is 149.03 g/mol.
Where can I buy 1H-Indole-3-thiol?
You can request a quote for 1H-Indole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.