4-(1H-indol-3-yl)butanethioamide
TL;DR: 4-(1H-indol-3-yl)butanethioamide (CAS 59108-93-9) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-indol-3-yl)butanethioamide
Also Known As: 4-(1H-indol-3-yl)butanethioamide
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 59108-93-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=S)N |
| InChIKey | QJOQSAMYQIHILJ-UHFFFAOYSA-N |
Product Overview
4-(1H-indol-3-yl)butanethioamide (CAS 59108-93-9), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 4-(1H-indol-3-yl)butanethioamide.
Chemical Property Profile of 4-(1H-indol-3-yl)butanethioamide
Property Insights of 4-(1H-indol-3-yl)butanethioamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-indol-3-yl)butanethioamide. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-indol-3-yl)butanethioamide. Following Lipinski's Rule of Five, 4-(1H-indol-3-yl)butanethioamide 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 4-(1H-indol-3-yl)butanethioamide?
The CAS number of 4-(1H-indol-3-yl)butanethioamide is 59108-93-9.
What is the molecular formula of 4-(1H-indol-3-yl)butanethioamide?
The molecular formula of 4-(1H-indol-3-yl)butanethioamide is C12H14N2S.
What is the molecular weight of 4-(1H-indol-3-yl)butanethioamide?
The molecular weight of 4-(1H-indol-3-yl)butanethioamide is 218.09 g/mol.
Where can I buy 4-(1H-indol-3-yl)butanethioamide?
You can request a quote for 4-(1H-indol-3-yl)butanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-indol-3-yl)butanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-indol-3-yl)butanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.