S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
TL;DR: S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate (CAS 263385-01-9) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
Also Known As: Maybridge3_007356, IDI1_018743, S-(4-Methylphenyl) 5-methyl-3-isoxazolecarbothioate, S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 3.22394 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 501.99225 |
Chemical Identifiers
| CAS Number | 263385-01-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=NOC(=C2)C |
Product Overview
S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate (CAS 263385-01-9), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate.
Chemical Property Profile of S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
Property Insights of S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
The XLogP value of 3.22394 indicates that S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate 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 S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate?
The CAS number of S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate is 263385-01-9.
What is the molecular formula of S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate?
The molecular formula of S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate is C12H11NO2S.
What is the molecular weight of S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate?
The molecular weight of S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate is 233.05 g/mol.
Where can I buy S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate?
You can request a quote for S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.