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Pyrimido[4,5-d]pyrimidine-4(3H)-thione
TL;DR: Pyrimido[4,5-d]pyrimidine-4(3H)-thione (CAS 6014-08-0) is a chemical compound with molecular formula C6H4N4S and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8H-pyrimido[4,5-d]pyrimidine-5-thione
Also Known As: pyrimido[4,5-d][1,3]diazine-4-thiol, Pyrimido[4,5-d]pyrimidine-4-thiol, 8H-pyrimido[4,5-d]pyrimidine-5-thione, 3H-pyrimido[4,5-d]pyrimidine-4-thione, Pyrimido(4,5-d)pyrimidine-4(3H)-thione
| Molecular Formula | C6H4N4S |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.08239 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.01567 |
| Heavy Atoms | 11 |
| Complexity | 430.28036 |
Chemical Identifiers
| CAS Number | 6014-08-0 |
|---|---|
| SMILES | C1=C2C(=NC=N1)NC=NC2=S |
Product Overview
Pyrimido[4,5-d]pyrimidine-4(3H)-thione (CAS 6014-08-0), with molecular formula C6H4N4S and molecular weight 164.02 g/mol. IUPAC: 8H-pyrimido[4,5-d]pyrimidine-5-thione.
Chemical Property Profile of Pyrimido[4,5-d]pyrimidine-4(3H)-thione
Property Insights of Pyrimido[4,5-d]pyrimidine-4(3H)-thione
The XLogP value of 1.08239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido[4,5-d]pyrimidine-4(3H)-thione. With a topological polar surface area (TPSA) of 54.46 Ų, Pyrimido[4,5-d]pyrimidine-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimido[4,5-d]pyrimidine-4(3H)-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 Pyrimido[4,5-d]pyrimidine-4(3H)-thione?
The CAS number of Pyrimido[4,5-d]pyrimidine-4(3H)-thione is 6014-08-0.
What is the molecular formula of Pyrimido[4,5-d]pyrimidine-4(3H)-thione?
The molecular formula of Pyrimido[4,5-d]pyrimidine-4(3H)-thione is C6H4N4S.
What is the molecular weight of Pyrimido[4,5-d]pyrimidine-4(3H)-thione?
The molecular weight of Pyrimido[4,5-d]pyrimidine-4(3H)-thione is 164.02 g/mol.
Where can I buy Pyrimido[4,5-d]pyrimidine-4(3H)-thione?
You can request a quote for Pyrimido[4,5-d]pyrimidine-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido[4,5-d]pyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido[4,5-d]pyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.