1H-Indole, 3-(ethenylthio)-1-ethyl-
TL;DR: 1H-Indole, 3-(ethenylthio)-1-ethyl- (CAS 70447-27-7) is a chemical compound with molecular formula C12H13NS and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethenylsulfanyl-1-ethylindole
Also Known As: 1-ethyl-3-vinylthioindole, 3-ethenylsulfanyl-1-ethylindole, 3-(Ethenylthio)-1-ethyl-1H-indole, 1H-INDOLE, 3-(ETHENYLTHIO)-1-ETHYL-, 3-(Ethenylsulfanyl)-1-ethyl-1H-indole
| Molecular Formula | C12H13NS |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.07687 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 70447-27-7 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)SC=C |
| InChIKey | VQLZUGJUQPGYRZ-UHFFFAOYSA-N |
Product Overview
1H-Indole, 3-(ethenylthio)-1-ethyl- (CAS 70447-27-7), with molecular formula C12H13NS and molecular weight 203.08 g/mol. IUPAC: 3-ethenylsulfanyl-1-ethylindole.
Chemical Property Profile of 1H-Indole, 3-(ethenylthio)-1-ethyl-
Property Insights of 1H-Indole, 3-(ethenylthio)-1-ethyl-
The XLogP value of 3.3 indicates that 1H-Indole, 3-(ethenylthio)-1-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, 1H-Indole, 3-(ethenylthio)-1-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 3-(ethenylthio)-1-ethyl- 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 1H-Indole, 3-(ethenylthio)-1-ethyl-?
The CAS number of 1H-Indole, 3-(ethenylthio)-1-ethyl- is 70447-27-7.
What is the molecular formula of 1H-Indole, 3-(ethenylthio)-1-ethyl-?
The molecular formula of 1H-Indole, 3-(ethenylthio)-1-ethyl- is C12H13NS.
What is the molecular weight of 1H-Indole, 3-(ethenylthio)-1-ethyl-?
The molecular weight of 1H-Indole, 3-(ethenylthio)-1-ethyl- is 203.08 g/mol.
Where can I buy 1H-Indole, 3-(ethenylthio)-1-ethyl-?
You can request a quote for 1H-Indole, 3-(ethenylthio)-1-ethyl- 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-(ethenylthio)-1-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 3-(ethenylthio)-1-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.