3,3-Dimethyl-1-(m-methylthiophenyl)triazene
TL;DR: 3,3-Dimethyl-1-(m-methylthiophenyl)triazene (CAS 52416-14-5) is a chemical compound with molecular formula C9H13N3S and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[(3-methylsulfanylphenyl)diazenyl]methanamine
Also Known As: 3,3-Dimethyl-1-(m-methylthiophenyl)triazene, KST-1A5463, 3,3-Dimethyl-1-[3- phenyl]triazene, 3,3-Dimethyl-1-(3-methylthiophenyl)triazene, Triazene, 3,3-dimethyl-1-(m-methylthiophenyl)-
| Molecular Formula | C9H13N3S |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08302 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 52416-14-5 |
|---|---|
| SMILES | CN(C)N=NC1=CC(=CC=C1)SC |
| InChIKey | CWWODDIXPTUZOV-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-1-(m-methylthiophenyl)triazene (CAS 52416-14-5), with molecular formula C9H13N3S and molecular weight 195.08 g/mol. IUPAC: N-methyl-N-[(3-methylsulfanylphenyl)diazenyl]methanamine.
Chemical Property Profile of 3,3-Dimethyl-1-(m-methylthiophenyl)triazene
Property Insights of 3,3-Dimethyl-1-(m-methylthiophenyl)triazene
The XLogP value of 3.0 indicates that 3,3-Dimethyl-1-(m-methylthiophenyl)triazene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 3,3-Dimethyl-1-(m-methylthiophenyl)triazene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(m-methylthiophenyl)triazene 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 3,3-Dimethyl-1-(m-methylthiophenyl)triazene?
The CAS number of 3,3-Dimethyl-1-(m-methylthiophenyl)triazene is 52416-14-5.
What is the molecular formula of 3,3-Dimethyl-1-(m-methylthiophenyl)triazene?
The molecular formula of 3,3-Dimethyl-1-(m-methylthiophenyl)triazene is C9H13N3S.
What is the molecular weight of 3,3-Dimethyl-1-(m-methylthiophenyl)triazene?
The molecular weight of 3,3-Dimethyl-1-(m-methylthiophenyl)triazene is 195.08 g/mol.
Where can I buy 3,3-Dimethyl-1-(m-methylthiophenyl)triazene?
You can request a quote for 3,3-Dimethyl-1-(m-methylthiophenyl)triazene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-(m-methylthiophenyl)triazene?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-(m-methylthiophenyl)triazene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.