p-Tolyl isocyanomethyl sulfone
TL;DR: p-Tolyl isocyanomethyl sulfone (CAS 150619-47-9) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)sulfonylmethyl]methanimine
Also Known As: TosMIC, Tosylmethyl isocyanide, p-tosylmethyl isocyanide, N-(Tosylmethyl)methanimine, p-Tolyl isocyanomethyl sulfone
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 150619-47-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CN=C |
| InChIKey | IWTMRYLZIDOZHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tolyl isocyanomethyl sulfone (CAS 150619-47-9), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: N-[(4-methylphenyl)sulfonylmethyl]methanimine.
Chemical Property Profile of p-Tolyl isocyanomethyl sulfone
Property Insights of p-Tolyl isocyanomethyl sulfone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tolyl isocyanomethyl sulfone. With a topological polar surface area (TPSA) of 54.9 Ų, p-Tolyl isocyanomethyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolyl isocyanomethyl sulfone 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 p-Tolyl isocyanomethyl sulfone?
The CAS number of p-Tolyl isocyanomethyl sulfone is 150619-47-9.
What is the molecular formula of p-Tolyl isocyanomethyl sulfone?
The molecular formula of p-Tolyl isocyanomethyl sulfone is C9H11NO2S.
What is the molecular weight of p-Tolyl isocyanomethyl sulfone?
The molecular weight of p-Tolyl isocyanomethyl sulfone is 197.05 g/mol.
Where can I buy p-Tolyl isocyanomethyl sulfone?
You can request a quote for p-Tolyl isocyanomethyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyl isocyanomethyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyl isocyanomethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.