2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine
TL;DR: 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine (CAS 303149-09-9) is a chemical compound with molecular formula C10H16N2S and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-2-prop-2-enylsulfanyl-1H-pyrimidine
Also Known As: 11F-361S, 2-(allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine, 4,4,6-trimethyl-2-prop-2-enylsulfanyl-1H-pyrimidine, 4,6,6-trimethyl-2-(prop-2-en-1-ylsulfanyl)-1,6-dihydropyrimidine
| Molecular Formula | C10H16N2S |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.5472 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.10342 |
| Heavy Atoms | 13 |
| Complexity | 264.0983 |
Chemical Identifiers
| CAS Number | 303149-09-9 |
|---|---|
| SMILES | CC1=CC(N=C(N1)SCC=C)(C)C |
Product Overview
2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine (CAS 303149-09-9), with molecular formula C10H16N2S and molecular weight 196.10 g/mol. IUPAC: 4,4,6-trimethyl-2-prop-2-enylsulfanyl-1H-pyrimidine.
Chemical Property Profile of 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine
Property Insights of 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine
The XLogP value of 2.5472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine. With a topological polar surface area (TPSA) of 24.39 Ų, 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine 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-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine?
The CAS number of 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine is 303149-09-9.
What is the molecular formula of 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine?
The molecular formula of 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine is C10H16N2S.
What is the molecular weight of 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine?
The molecular weight of 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine is 196.10 g/mol.
Where can I buy 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine?
You can request a quote for 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylsulfanyl)-4,6,6-trimethyl-1,6-dihydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.