1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
TL;DR: 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one (CAS 145693-84-1) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxy-1-methylindol-3-yl)-2-sulfanylideneimidazol-4-one
Also Known As: SDCCGMLS-0064914.P001, 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one, AB00095981-01, 5-(2-hydroxy-1-methylindol-3-yl)-2-sulfanylideneimidazol-4-one, (3E)-1-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)indol-2-one
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 145693-84-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1O)C3=NC(=S)NC3=O |
| InChIKey | MPQNXHPGJXJZFB-UHFFFAOYSA-N |
Product Overview
1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one (CAS 145693-84-1), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 5-(2-hydroxy-1-methylindol-3-yl)-2-sulfanylideneimidazol-4-one.
Chemical Property Profile of 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
Property Insights of 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one 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 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
The CAS number of 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one is 145693-84-1.
What is the molecular formula of 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
The molecular formula of 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one is C12H9N3O2S.
What is the molecular weight of 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
The molecular weight of 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one is 259.04 g/mol.
Where can I buy 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
You can request a quote for 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.