2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine
TL;DR: 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine (CAS 6497-88-7) is a chemical compound with molecular formula C11H14N2S and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine
Also Known As: 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine, 2-(benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine, Maybridge1_003353, 2- -1,4,5,6-tetrahydropyrimidine, 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C11H14N2S |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.2691 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.08777 |
| Heavy Atoms | 14 |
| Complexity | 308.3234 |
Chemical Identifiers
| CAS Number | 6497-88-7 |
|---|---|
| SMILES | C1CNC(=NC1)SCC2=CC=CC=C2 |
Product Overview
2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine (CAS 6497-88-7), with molecular formula C11H14N2S and molecular weight 206.09 g/mol. IUPAC: 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine.
Chemical Property Profile of 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine
Property Insights of 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine
The XLogP value of 2.2691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine. With a topological polar surface area (TPSA) of 24.39 Ų, 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine has 1 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-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The CAS number of 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine is 6497-88-7.
What is the molecular formula of 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine is C11H14N2S.
What is the molecular weight of 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine is 206.09 g/mol.
Where can I buy 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.