4,6-Pyrimidinedithiol
TL;DR: 4,6-Pyrimidinedithiol (CAS 1450-88-0) is a chemical compound with molecular formula C4H4N2S2 and molecular weight 143.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanyl-1H-pyrimidine-6-thione
Also Known As: 4,6-Pyrimidinedithiol, 4,6-dimercaptopyrimidine, pyrimidine-4,6-dithiol, 4-sulfanyl-1H-pyrimidine-6-thione, pyrimidine, 4,6-dimercapto-
| Molecular Formula | C4H4N2S2 |
|---|---|
| Molecular Weight | 143.98 g/mol |
| LogP | 1.42789 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.9816 |
| Heavy Atoms | 8 |
| Complexity | 229.47997 |
Chemical Identifiers
| CAS Number | 1450-88-0 |
|---|---|
| SMILES | C1=C(N=CNC1=S)S |
Product Overview
4,6-Pyrimidinedithiol (CAS 1450-88-0), with molecular formula C4H4N2S2 and molecular weight 143.98 g/mol. IUPAC: 4-sulfanyl-1H-pyrimidine-6-thione.
Chemical Property Profile of 4,6-Pyrimidinedithiol
Property Insights of 4,6-Pyrimidinedithiol
The XLogP value of 1.42789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Pyrimidinedithiol. With a topological polar surface area (TPSA) of 28.68 Ų, 4,6-Pyrimidinedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Pyrimidinedithiol 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 4,6-Pyrimidinedithiol?
The CAS number of 4,6-Pyrimidinedithiol is 1450-88-0.
What is the molecular formula of 4,6-Pyrimidinedithiol?
The molecular formula of 4,6-Pyrimidinedithiol is C4H4N2S2.
What is the molecular weight of 4,6-Pyrimidinedithiol?
The molecular weight of 4,6-Pyrimidinedithiol is 143.98 g/mol.
Where can I buy 4,6-Pyrimidinedithiol?
You can request a quote for 4,6-Pyrimidinedithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Pyrimidinedithiol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Pyrimidinedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.