5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 69008-58-8) is a chemical compound with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(indol-2-ylidenemethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C13H9N3O2S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 0.59289 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.04153 |
| Heavy Atoms | 19 |
| Complexity | 884.8801 |
Chemical Identifiers
| CAS Number | 69008-58-8 |
|---|---|
| SMILES | C1=CC2=CC(=CC3=C(NC(=S)NC3=O)O)N=C2C=C1 |
Product Overview
5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 69008-58-8), with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol. IUPAC: 6-hydroxy-5-(indol-2-ylidenemethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 0.59289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 3 hydrogen bond donor(s) and 4 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 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 69008-58-8.
What is the molecular formula of 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C13H9N3O2S.
What is the molecular weight of 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 271.04 g/mol.
Where can I buy 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1H-Indol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.