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Pyridine, 4-[(3-methylphenyl)thio]-
TL;DR: Pyridine, 4-[(3-methylphenyl)thio]- (CAS 646511-40-2) is a chemical compound with molecular formula C12H11NS and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)sulfanylpyridine
Also Known As: m-nitroxymethyl benzoic acid, 4-(m-tolylsulfanyl)pyridine, Pyridine, 4-[(3-methylphenyl)thio]-, 4-(3-methylphenyl)sulfanylpyridine, 4-(3-Methylbenzenethio)-pyridine
| Molecular Formula | C12H11NS |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.06122 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 646511-40-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SC2=CC=NC=C2 |
| InChIKey | MIBCHYIMODVJPR-UHFFFAOYSA-N |
Product Overview
Pyridine, 4-[(3-methylphenyl)thio]- (CAS 646511-40-2), with molecular formula C12H11NS and molecular weight 201.06 g/mol. IUPAC: 4-(3-methylphenyl)sulfanylpyridine.
Chemical Property Profile of Pyridine, 4-[(3-methylphenyl)thio]-
Property Insights of Pyridine, 4-[(3-methylphenyl)thio]-
The XLogP value of 3.3 indicates that Pyridine, 4-[(3-methylphenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, Pyridine, 4-[(3-methylphenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 4-[(3-methylphenyl)thio]- has 0 hydrogen bond donor(s) and 2 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 Pyridine, 4-[(3-methylphenyl)thio]-?
The CAS number of Pyridine, 4-[(3-methylphenyl)thio]- is 646511-40-2.
What is the molecular formula of Pyridine, 4-[(3-methylphenyl)thio]-?
The molecular formula of Pyridine, 4-[(3-methylphenyl)thio]- is C12H11NS.
What is the molecular weight of Pyridine, 4-[(3-methylphenyl)thio]-?
The molecular weight of Pyridine, 4-[(3-methylphenyl)thio]- is 201.06 g/mol.
Where can I buy Pyridine, 4-[(3-methylphenyl)thio]-?
You can request a quote for Pyridine, 4-[(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 Pyridine, 4-[(3-methylphenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-[(3-methylphenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.