![7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione structure](/static/products/7403/7403-30-7.webp)
7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione
TL;DR: 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione (CAS 7403-30-7) is a chemical compound with molecular formula C7H6N4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-8H-pyrimido[4,5-d]pyrimidine-5-thione
Also Known As: 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione, 2-methyl-8H-pyrimido[4,5-d]pyrimidine-5-thione, 7-Methylpyrimido[4,5-d]pyrimidine-4(3H)-thione, 7-Methylpyrimido[4,5-d]pyrimidine-4(1H)-thione
| Molecular Formula | C7H6N4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 1.39081 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.03131 |
| Heavy Atoms | 12 |
| Complexity | 476.03522 |
Chemical Identifiers
| CAS Number | 7403-30-7 |
|---|---|
| SMILES | CC1=NC=C2C(=N1)NC=NC2=S |
Product Overview
7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione (CAS 7403-30-7), with molecular formula C7H6N4S and molecular weight 178.03 g/mol. IUPAC: 2-methyl-8H-pyrimido[4,5-d]pyrimidine-5-thione.
Chemical Property Profile of 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione
Property Insights of 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione
The XLogP value of 1.39081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione. With a topological polar surface area (TPSA) of 54.46 Ų, 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione has 1 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 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione?
The CAS number of 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione is 7403-30-7.
What is the molecular formula of 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione?
The molecular formula of 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione is C7H6N4S.
What is the molecular weight of 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione?
The molecular weight of 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione is 178.03 g/mol.
Where can I buy 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione?
You can request a quote for 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-3H,4H-pyrimido[4,5-d][1,3]diazine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.