(3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone
TL;DR: (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone (CAS 4341-57-5) is a chemical compound with molecular formula C9H7IN4OS and molecular weight 345.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-5-iodo-1H-indol-3-yl)iminothiourea
Also Known As: Ethyl 2-butynoate, 5-Iodoisatin-3-hydrazinecarbothioamide, [(5-iodo-2-oxoindol-3-yl)amino]thiourea, BAS 00234360, (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone
| Molecular Formula | C9H7IN4OS |
|---|---|
| Molecular Weight | 345.94 g/mol |
| LogP | 2.8054 |
| Topological Polar Surface Area | 86.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.93854 |
| Heavy Atoms | 16 |
| Complexity | 592.45166 |
Chemical Identifiers
| CAS Number | 4341-57-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1I)C(=C(N2)O)N=NC(=S)N |
Product Overview
(3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone (CAS 4341-57-5), with molecular formula C9H7IN4OS and molecular weight 345.94 g/mol. IUPAC: (2-hydroxy-5-iodo-1H-indol-3-yl)iminothiourea.
Chemical Property Profile of (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone
Property Insights of (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone
The XLogP value of 2.8054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-5-Iodo-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-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone. Following Lipinski's Rule of Five, (3Z)-5-Iodo-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-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone?
The CAS number of (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone is 4341-57-5.
What is the molecular formula of (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone?
The molecular formula of (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone is C9H7IN4OS.
What is the molecular weight of (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone?
The molecular weight of (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone is 345.94 g/mol.
Where can I buy (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone?
You can request a quote for (3Z)-5-Iodo-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-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-5-Iodo-1H-indole-2,3-dione 3-thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.