![6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol structure](/static/products/1890/189057-68-9.webp)
6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol
TL;DR: 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol (CAS 189057-68-9) is a chemical compound with molecular formula C11H10N2OS2 and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(phenylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: S-DABO deriv., 6-[(phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol, 6-[(phenylsulfanyl)methyl]-2-sulfanylpyrimidin-4-ol, 6-(phenylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 6-(phenylsulfanylmethyl)-2-sulfanyl-1H-pyrimidin-4-one
| Molecular Formula | C11H10N2OS2 |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 2.72479 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.02345 |
| Heavy Atoms | 16 |
| Complexity | 546.03357 |
Chemical Identifiers
| CAS Number | 189057-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CC(=O)NC(=S)N2 |
Product Overview
6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol (CAS 189057-68-9), with molecular formula C11H10N2OS2 and molecular weight 250.02 g/mol. IUPAC: 6-(phenylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol
Property Insights of 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol
The XLogP value of 2.72479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol. With a topological polar surface area (TPSA) of 48.65 Ų, 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol 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 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol?
The CAS number of 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol is 189057-68-9.
What is the molecular formula of 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol?
The molecular formula of 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol is C11H10N2OS2.
What is the molecular weight of 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol?
The molecular weight of 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol is 250.02 g/mol.
Where can I buy 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol?
You can request a quote for 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(Phenylsulfanyl)methyl]-2-sulfanyl-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.