2-(Butylsulfanyl)pyrimidinediium-4,6-diolate
TL;DR: 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate (CAS 39067-34-0) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 2-(butylsulfanyl)-4,6-pyrimidinediol, 2-(Butylthio)-6-hydroxy-4(3H)-pyrimidinone, 2-n-butylthio-4,6-dihydroxy-pyrimidine, 2-(butylsulfanyl)pyrimidinediium-4,6-diolate, 2-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.3677 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 324.16522 |
Chemical Identifiers
| CAS Number | 39067-34-0 |
|---|---|
| SMILES | CCCCSC1=NC(=CC(=O)N1)O |
Product Overview
2-(Butylsulfanyl)pyrimidinediium-4,6-diolate (CAS 39067-34-0), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: 2-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate
Property Insights of 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate
The XLogP value of 1.3677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate. Following Lipinski's Rule of Five, 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate has 2 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 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate?
The CAS number of 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate is 39067-34-0.
What is the molecular formula of 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate?
The molecular formula of 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate is C8H12N2O2S.
What is the molecular weight of 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate?
The molecular weight of 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate is 200.06 g/mol.
Where can I buy 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate?
You can request a quote for 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylsulfanyl)pyrimidinediium-4,6-diolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.