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 149.02992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-indole-3-thiol
Also Known As: 3-Mercaptoindole, 1H-INDOLE-3-THIOL, 1H-Indol-3-ylhydrosulfide, 3-Indoylthiol, 3-Indolethiol
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NS |
| Molecular Weight | 149.02992 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 16.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.02992 Da |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)S |
| InChIKey | LYFRUBQVZGVXPR-UHFFFAOYSA-N |
Product Description
Applications: 1H-Indole-3-thiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1H-Indole-3-thiol (CAS 480-94-4) is a heterocyclic building block with the molecular formula C8H7NS and a molecular weight of 149.03 g/mol. Synonyms include 3-Mercaptoindole and 1H-INDOLE-3-THIOL.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 149.02992 g/mol.
What are the applications of 1H-Indole-3-thiol?
1H-Indole-3-thiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1H-Indole-3-thiol?
You can request a quote for 1H-Indole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.