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Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide
TL;DR: Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide (CAS 303988-36-5) is a chemical compound with molecular formula C13H11F3N2S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
Also Known As: 11N-687S, methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide, 4-(4-methylphenyl)sulfanyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine, 4-[(4-methylphenyl)sulfanyl]-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
| Molecular Formula | C13H11F3N2S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.67692 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0316 |
| Heavy Atoms | 20 |
| Complexity | 597.55554 |
Chemical Identifiers
| CAS Number | 303988-36-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NC(=C2)C(F)(F)F)SC |
Product Overview
Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide (CAS 303988-36-5), with molecular formula C13H11F3N2S2 and molecular weight 316.03 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
Chemical Property Profile of Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide
Property Insights of Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide
The XLogP value of 4.67692 indicates that Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide has 0 hydrogen bond donor(s) and 4 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 Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide?
The CAS number of Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide is 303988-36-5.
What is the molecular formula of Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide?
The molecular formula of Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide is C13H11F3N2S2.
What is the molecular weight of Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide?
The molecular weight of Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide is 316.03 g/mol.
Where can I buy Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide?
You can request a quote for Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.