2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
TL;DR: 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid (CAS 7153-63-1) is a chemical compound with molecular formula C5H4N2O2S2 and molecular weight 187.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
Also Known As: 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid, 2,4-dithioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid, 2,4-Bis(sulfanylidene)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
| Molecular Formula | C5H4N2O2S2 |
|---|---|
| Molecular Weight | 187.97 g/mol |
| LogP | 1.49998 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.97142 |
| Heavy Atoms | 11 |
| Complexity | 391.95917 |
Chemical Identifiers
| CAS Number | 7153-63-1 |
|---|---|
| SMILES | C1=C(C(=S)NC(=S)N1)C(=O)O |
Product Overview
2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid (CAS 7153-63-1), with molecular formula C5H4N2O2S2 and molecular weight 187.97 g/mol. IUPAC: 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid.
Chemical Property Profile of 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
Property Insights of 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
The XLogP value of 1.49998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid 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 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid?
The CAS number of 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid is 7153-63-1.
What is the molecular formula of 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid?
The molecular formula of 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid is C5H4N2O2S2.
What is the molecular weight of 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid?
The molecular weight of 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid is 187.97 g/mol.
Where can I buy 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid?
You can request a quote for 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.