2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
TL;DR: 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride (CAS 6497-89-8) is a chemical compound with molecular formula C11H15ClN2S and molecular weight 242.06 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;hydrochloride
Also Known As: 2-(benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride, 2-(BENZYLSULFANYL)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROCHLORIDE, 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydrochloride, 2-(benzylthio)-1,4,5,6-tetrahydropyrimidinehydrochloride, 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine hydrochloride
| Molecular Formula | C11H15ClN2S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 2.6909 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06445 |
| Heavy Atoms | 15 |
| Complexity | 313.62378 |
Chemical Identifiers
| CAS Number | 6497-89-8 |
|---|---|
| SMILES | C1CNC(=NC1)SCC2=CC=CC=C2.Cl |
Product Overview
2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride (CAS 6497-89-8), with molecular formula C11H15ClN2S and molecular weight 242.06 g/mol. IUPAC: 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydrochloride.
Chemical Property Profile of 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
Property Insights of 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
The XLogP value of 2.6909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride. With a topological polar surface area (TPSA) of 24.39 Ų, 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride 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-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride?
The CAS number of 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride is 6497-89-8.
What is the molecular formula of 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride?
The molecular formula of 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride is C11H15ClN2S.
What is the molecular weight of 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride?
The molecular weight of 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride is 242.06 g/mol.
Where can I buy 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride?
You can request a quote for 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.