3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol
TL;DR: 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol (CAS 80305-96-0) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol
Also Known As: 3-(2-methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol, 2-Propen-1-ol, 3-[[2-(methylthio)-5-pyrimidinyl]oxy]-
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.0833 |
| Topological Polar Surface Area | 55.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 273.97745 |
Chemical Identifiers
| CAS Number | 80305-96-0 |
|---|---|
| SMILES | CSC1=NC=C(C=N1)OC=CCO |
Product Overview
3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol (CAS 80305-96-0), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: 3-(2-methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol.
Chemical Property Profile of 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol
Property Insights of 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol
The XLogP value of 1.0833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol. With a topological polar surface area (TPSA) of 55.24 Ų, 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol has 1 hydrogen bond donor(s) and 5 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 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol?
The CAS number of 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol is 80305-96-0.
What is the molecular formula of 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol?
The molecular formula of 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol is C8H10N2O2S.
What is the molecular weight of 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol?
The molecular weight of 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol is 198.05 g/mol.
Where can I buy 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol?
You can request a quote for 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylsulfanylpyrimidin-5-yl)oxyprop-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.