2-(Allylthio)pyrimidine
TL;DR: 2-(Allylthio)pyrimidine (CAS 66348-65-0) is a chemical compound with molecular formula C7H8N2S and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanylpyrimidine
Also Known As: 2-(allylthio)pyrimidine, (allylthio)pyrimidine, 2-prop-2-enylsulfanylpyrimidine, 2-allylsulfanyl-pyrimidine, (2-Pyrimidinyl)allyl sulfide
| Molecular Formula | C7H8N2S |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | 1.7547 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04082 |
| Heavy Atoms | 10 |
| Complexity | 198.0209 |
Chemical Identifiers
| CAS Number | 66348-65-0 |
|---|---|
| SMILES | C=CCSC1=NC=CC=N1 |
Product Overview
2-(Allylthio)pyrimidine (CAS 66348-65-0), with molecular formula C7H8N2S and molecular weight 152.04 g/mol. IUPAC: 2-prop-2-enylsulfanylpyrimidine.
Chemical Property Profile of 2-(Allylthio)pyrimidine
Property Insights of 2-(Allylthio)pyrimidine
The XLogP value of 1.7547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylthio)pyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 2-(Allylthio)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylthio)pyrimidine has 0 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 2-(Allylthio)pyrimidine?
The CAS number of 2-(Allylthio)pyrimidine is 66348-65-0.
What is the molecular formula of 2-(Allylthio)pyrimidine?
The molecular formula of 2-(Allylthio)pyrimidine is C7H8N2S.
What is the molecular weight of 2-(Allylthio)pyrimidine?
The molecular weight of 2-(Allylthio)pyrimidine is 152.04 g/mol.
Where can I buy 2-(Allylthio)pyrimidine?
You can request a quote for 2-(Allylthio)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylthio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.