N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine
TL;DR: N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine (CAS 34587-31-0) is a chemical compound with molecular formula C16H13NOS and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine
Also Known As: N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine, (2Z)-N-(4-Methylphenyl)-5-phenyl-2H-1,3-oxathiol-2-imine
| Molecular Formula | C16H13NOS |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.07178 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 34587-31-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=C2OC(=CS2)C3=CC=CC=C3 |
| InChIKey | CAWRCUGHRHUQSS-UHFFFAOYSA-N |
Product Overview
N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine (CAS 34587-31-0), with molecular formula C16H13NOS and molecular weight 267.07 g/mol. IUPAC: N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine.
Chemical Property Profile of N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine
Property Insights of N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine
The XLogP value of 4.7 indicates that N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine 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 N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine?
The CAS number of N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine is 34587-31-0.
What is the molecular formula of N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine?
The molecular formula of N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine is C16H13NOS.
What is the molecular weight of N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine?
The molecular weight of N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine is 267.07 g/mol.
Where can I buy N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine?
You can request a quote for N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylphenyl)-5-phenyl-1,3-oxathiol-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.