2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide
TL;DR: 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide (CAS 4839-52-5) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-oxoinden-1-ylidene)amino]thiourea
Also Known As: [(3-oxoinden-1-ylidene)amino]thiourea, Indane-1,3-dione, 1-thiosemicarbazone, 3-[(3-oxoindan-1-ylidene)amino]isothiourea, 3-(((AMINOTHIOXOMETHYL)AMINO)AZAMETHYLENE)INDAN-1-ONE, 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 0.8103 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 467.49023 |
Chemical Identifiers
| CAS Number | 4839-52-5 |
|---|---|
| SMILES | C1C(=NNC(=S)N)C2=CC=CC=C2C1=O |
Product Overview
2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide (CAS 4839-52-5), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: [(3-oxoinden-1-ylidene)amino]thiourea.
Chemical Property Profile of 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide
Property Insights of 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide
The XLogP value of 0.8103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide 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 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide?
The CAS number of 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide is 4839-52-5.
What is the molecular formula of 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide?
The molecular formula of 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide is C10H9N3OS.
What is the molecular weight of 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide?
The molecular weight of 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide is 219.05 g/mol.
Where can I buy 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide?
You can request a quote for 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.