1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)
TL;DR: 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) (CAS 54289-68-8) 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.
3-[(3-hydroxy-1H-indol-2-yl)imino]-1,1-dimethylthiourea
Also Known As: 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone), Hydrazinecarbothioamide, N,N-dimethyl-2-(3-oxo-3H-indol-2-yl)-
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.8037 |
| Topological Polar Surface Area | 63.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 588.169 |
Chemical Identifiers
| CAS Number | 54289-68-8 |
|---|---|
| SMILES | CN(C)C(=S)N=NC1=C(C2=CC=CC=C2N1)O |
Product Overview
1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) (CAS 54289-68-8), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 3-[(3-hydroxy-1H-indol-2-yl)imino]-1,1-dimethylthiourea.
Chemical Property Profile of 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)
Property Insights of 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)
The XLogP value of 2.8037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone). The TPSA of 63.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone). Following Lipinski's Rule of Five, 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) has 2 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 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)?
The CAS number of 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) is 54289-68-8.
What is the molecular formula of 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)?
The molecular formula of 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) is C11H12N4OS.
What is the molecular weight of 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)?
The molecular weight of 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) is 248.07 g/mol.
Where can I buy 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)?
You can request a quote for 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone)?
Yes, KEHONG BIO provides custom synthesis services for 1H-indole-2,3-dione 2-(N,N-dimethylthiosemicarbazone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.