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Pyrimidine, 2-[(3-methylphenyl)thio]-
TL;DR: Pyrimidine, 2-[(3-methylphenyl)thio]- (CAS 646511-17-3) is a chemical compound with molecular formula C11H10N2S and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)sulfanylpyrimidine
Also Known As: Pyrimidine, 2-[(3-methylphenyl)thio]-, 2-(m-tolylsulfanyl)pyrimidine, 2-(3-methylphenyl)sulfanylpyrimidine, 2-(3-Methylbenzenethio)-pyrimidine, 0.1 H2O
| Molecular Formula | C11H10N2S |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.05647 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 646511-17-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SC2=NC=CC=N2 |
| InChIKey | JLUPCQAWUBGZCN-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 2-[(3-methylphenyl)thio]- (CAS 646511-17-3), with molecular formula C11H10N2S and molecular weight 202.06 g/mol. IUPAC: 2-(3-methylphenyl)sulfanylpyrimidine.
Chemical Property Profile of Pyrimidine, 2-[(3-methylphenyl)thio]-
Property Insights of Pyrimidine, 2-[(3-methylphenyl)thio]-
The XLogP value of 3.0 indicates that Pyrimidine, 2-[(3-methylphenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, Pyrimidine, 2-[(3-methylphenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 2-[(3-methylphenyl)thio]- 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 Pyrimidine, 2-[(3-methylphenyl)thio]-?
The CAS number of Pyrimidine, 2-[(3-methylphenyl)thio]- is 646511-17-3.
What is the molecular formula of Pyrimidine, 2-[(3-methylphenyl)thio]-?
The molecular formula of Pyrimidine, 2-[(3-methylphenyl)thio]- is C11H10N2S.
What is the molecular weight of Pyrimidine, 2-[(3-methylphenyl)thio]-?
The molecular weight of Pyrimidine, 2-[(3-methylphenyl)thio]- is 202.06 g/mol.
Where can I buy Pyrimidine, 2-[(3-methylphenyl)thio]-?
You can request a quote for Pyrimidine, 2-[(3-methylphenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2-[(3-methylphenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-[(3-methylphenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.