![7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione structure](/static/products/7403/7403-34-1.webp)
7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
TL;DR: 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione (CAS 7403-34-1) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
Also Known As: Thiamine Impurity 36, Thiamine /Vitamin B1 Impurity 44, 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione, 7-Methyl-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione, 7-methyl-3,4-dihydropyrimido[4,5-d]pyrimidine-2(6H)-thione? (Vitamin Impurity
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.58502 |
| Topological Polar Surface Area | 49.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 336.1783 |
Chemical Identifiers
| CAS Number | 7403-34-1 |
|---|---|
| SMILES | CC1=NC=C2CNC(=S)NC2=N1 |
Product Overview
7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione (CAS 7403-34-1), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione.
Chemical Property Profile of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
Property Insights of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
The XLogP value of 0.58502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione. With a topological polar surface area (TPSA) of 49.84 Ų, 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione 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 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione?
The CAS number of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione is 7403-34-1.
What is the molecular formula of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione?
The molecular formula of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione is C7H8N4S.
What is the molecular weight of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione?
The molecular weight of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione is 180.05 g/mol.
Where can I buy 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione?
You can request a quote for 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-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-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.