N-(dimethylsulfonio)-4-chlorobenzenecarboximidate
TL;DR: N-(dimethylsulfonio)-4-chlorobenzenecarboximidate (CAS 36176-95-1) is a chemical compound with molecular formula C9H10ClNOS and molecular weight 215.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(dimethyl-λ4-sulfanylidene)benzamide
Also Known As: 4-chloro-N-(dimethyl-, N-(4-Chlorobenzoyl)-S,S-dimethylsulfimine, N-(dimethylsulfonio)-4-chlorobenzenecarboximidate, J2.240.839I, 4-chloro-N-(dimethyl-lambda4-sulfanylidene)benzamide
| Molecular Formula | C9H10ClNOS |
|---|---|
| Molecular Weight | 215.02 g/mol |
| LogP | 2.5417 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.01717 |
| Heavy Atoms | 13 |
| Complexity | 341.13727 |
Chemical Identifiers
| CAS Number | 36176-95-1 |
|---|---|
| SMILES | CS(=NC(=O)C1=CC=C(C=C1)Cl)C |
Product Overview
N-(dimethylsulfonio)-4-chlorobenzenecarboximidate (CAS 36176-95-1), with molecular formula C9H10ClNOS and molecular weight 215.02 g/mol. IUPAC: 4-chloro-N-(dimethyl-λ4-sulfanylidene)benzamide.
Chemical Property Profile of N-(dimethylsulfonio)-4-chlorobenzenecarboximidate
Property Insights of N-(dimethylsulfonio)-4-chlorobenzenecarboximidate
The XLogP value of 2.5417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(dimethylsulfonio)-4-chlorobenzenecarboximidate. With a topological polar surface area (TPSA) of 29.43 Ų, N-(dimethylsulfonio)-4-chlorobenzenecarboximidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(dimethylsulfonio)-4-chlorobenzenecarboximidate has 0 hydrogen bond donor(s) and 1 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-(dimethylsulfonio)-4-chlorobenzenecarboximidate?
The CAS number of N-(dimethylsulfonio)-4-chlorobenzenecarboximidate is 36176-95-1.
What is the molecular formula of N-(dimethylsulfonio)-4-chlorobenzenecarboximidate?
The molecular formula of N-(dimethylsulfonio)-4-chlorobenzenecarboximidate is C9H10ClNOS.
What is the molecular weight of N-(dimethylsulfonio)-4-chlorobenzenecarboximidate?
The molecular weight of N-(dimethylsulfonio)-4-chlorobenzenecarboximidate is 215.02 g/mol.
Where can I buy N-(dimethylsulfonio)-4-chlorobenzenecarboximidate?
You can request a quote for N-(dimethylsulfonio)-4-chlorobenzenecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(dimethylsulfonio)-4-chlorobenzenecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for N-(dimethylsulfonio)-4-chlorobenzenecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.