(3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone
TL;DR: (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone (CAS 401899-98-7) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-2-hydroxy-1H-indol-3-yl)iminothiourea
Also Known As: (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone, [(5-ethyl-2-oxoindol-3-yl)amino]thiourea, (5-ethyl-2-hydroxy-1H-indol-3-yl)iminothiourea, [(5-ethyl-2-oxo-indol-3-yl)amino]thiourea, (3Z)-5-Ethyl-1H-indole-2,3-dione3-thiosemicarbazone
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.7632 |
| Topological Polar Surface Area | 86.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 602.7824 |
Chemical Identifiers
| CAS Number | 401899-98-7 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)NC(=C2N=NC(=S)N)O |
Product Overview
(3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone (CAS 401899-98-7), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: (5-ethyl-2-hydroxy-1H-indol-3-yl)iminothiourea.
Chemical Property Profile of (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone
Property Insights of (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone
The XLogP value of 2.7632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone. The TPSA of 86.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone. Following Lipinski's Rule of Five, (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone has 3 hydrogen bond donor(s) and 3 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 (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone?
The CAS number of (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone is 401899-98-7.
What is the molecular formula of (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone?
The molecular formula of (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone is C11H12N4OS.
What is the molecular weight of (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone?
The molecular weight of (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone is 248.07 g/mol.
Where can I buy (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone?
You can request a quote for (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.