N-4-甲苯基S,S-二甲基锍亚胺
TL;DR: N-4-甲苯基S,S-二甲基锍亚胺 (CAS 27691-50-5) is a chemical compound with molecular formula C9H13NS and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-4-甲苯基S,S-二甲基锍亚胺
dimethyl-(4-methylphenyl)imino-λ4-sulfane
Also Known As: N-4-Tolyl S,S-dimethyl sulfimide, dimethyl-(4-methylphenyl)imino-, Sulfilimine, S,S-dimethyl-N-p-tolyl-, Sulfilimine,S-dimethyl-N-p-tolyl-, Sulfilimine, S,S-dimethyl-N-(4-methylphenyl)-
| Molecular Formula | C9H13NS |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 31.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.07687 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 27691-50-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=S(C)C |
| InChIKey | UBHVHMYILSBQHF-UHFFFAOYSA-N |
Product Overview
N-4-甲苯基S,S-二甲基锍亚胺 (CAS 27691-50-5), with molecular formula C9H13NS and molecular weight 167.08 g/mol. IUPAC: dimethyl-(4-methylphenyl)imino-λ4-sulfane.
Chemical Property Profile of N-4-甲苯基S,S-二甲基锍亚胺
Property Insights of N-4-甲苯基S,S-二甲基锍亚胺
The XLogP value of 3.2 indicates that N-4-甲苯基S,S-二甲基锍亚胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.6 Ų, N-4-甲苯基S,S-二甲基锍亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-4-甲苯基S,S-二甲基锍亚胺 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 N-4-甲苯基S,S-二甲基锍亚胺?
The CAS number of N-4-甲苯基S,S-二甲基锍亚胺 is 27691-50-5.
What is the molecular formula of N-4-甲苯基S,S-二甲基锍亚胺?
The molecular formula of N-4-甲苯基S,S-二甲基锍亚胺 is C9H13NS.
What is the molecular weight of N-4-甲苯基S,S-二甲基锍亚胺?
The molecular weight of N-4-甲苯基S,S-二甲基锍亚胺 is 167.08 g/mol.
Where can I buy N-4-甲苯基S,S-二甲基锍亚胺?
You can request a quote for N-4-甲苯基S,S-二甲基锍亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-4-甲苯基S,S-二甲基锍亚胺?
Yes, KEHONG BIO provides custom synthesis services for N-4-甲苯基S,S-二甲基锍亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.