1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione
TL;DR: 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione (CAS 6967-57-3) is a chemical compound with molecular formula C7H6N4O2S and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-sulfanylidene-1,5-dihydropteridine-4,6-dione
Also Known As: NCIOpen2_003000, EINECS 230-180-8, 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione, 2-Mercapto-7-methyl-4,6-pteridinediol, 7-methyl-2-sulfanyl-pteridine-4,6-diol
| Molecular Formula | C7H6N4O2S |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | -0.02259 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.02115 |
| Heavy Atoms | 14 |
| Complexity | 665.66974 |
Chemical Identifiers
| CAS Number | 6967-57-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)NC(=S)N2)NC1=O |
Product Overview
1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione (CAS 6967-57-3), with molecular formula C7H6N4O2S and molecular weight 210.02 g/mol. IUPAC: 7-methyl-2-sulfanylidene-1,5-dihydropteridine-4,6-dione.
Chemical Property Profile of 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione
Property Insights of 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione
The XLogP value of -0.02259 indicates that 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione. Following Lipinski's Rule of Five, 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-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 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione?
The CAS number of 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione is 6967-57-3.
What is the molecular formula of 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione?
The molecular formula of 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione is C7H6N4O2S.
What is the molecular weight of 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione?
The molecular weight of 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione is 210.02 g/mol.
Where can I buy 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione?
You can request a quote for 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.