4-Pyrimidinol, 2,2'-dithiobis-
TL;DR: 4-Pyrimidinol, 2,2'-dithiobis- (CAS 15658-36-3) is a chemical compound with molecular formula C8H6N4O2S2 and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
Also Known As: Dinatriumsalz, 4-Pyrimidinol, 2,2'-dithiobis-, URACIL DISULFIDE, 4(1H)-Pyrimidinone, 2,2'-dithiobis-, 4(3H)-PYRIMIDINONE, 2,2'-DITHIODI-
| Molecular Formula | C8H6N4O2S2 |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.99323 |
| Heavy Atoms | 16 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 15658-36-3 |
|---|---|
| SMILES | C1=CN=C(NC1=O)SSC2=NC=CC(=O)N2 |
| InChIKey | NJINJSNLLJGLRK-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinol, 2,2'-dithiobis- (CAS 15658-36-3), with molecular formula C8H6N4O2S2 and molecular weight 253.99 g/mol. IUPAC: 2-[(6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 4-Pyrimidinol, 2,2'-dithiobis-
Property Insights of 4-Pyrimidinol, 2,2'-dithiobis-
The XLogP value of -0.4 indicates that 4-Pyrimidinol, 2,2'-dithiobis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinol, 2,2'-dithiobis-. Following Lipinski's Rule of Five, 4-Pyrimidinol, 2,2'-dithiobis- has 2 hydrogen bond donor(s) and 6 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-Pyrimidinol, 2,2'-dithiobis-?
The CAS number of 4-Pyrimidinol, 2,2'-dithiobis- is 15658-36-3.
What is the molecular formula of 4-Pyrimidinol, 2,2'-dithiobis-?
The molecular formula of 4-Pyrimidinol, 2,2'-dithiobis- is C8H6N4O2S2.
What is the molecular weight of 4-Pyrimidinol, 2,2'-dithiobis-?
The molecular weight of 4-Pyrimidinol, 2,2'-dithiobis- is 253.99 g/mol.
Where can I buy 4-Pyrimidinol, 2,2'-dithiobis-?
You can request a quote for 4-Pyrimidinol, 2,2'-dithiobis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinol, 2,2'-dithiobis-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinol, 2,2'-dithiobis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.