4-Thiomethyl-5-amino veratrole
TL;DR: 4-Thiomethyl-5-amino veratrole (CAS 30058-46-9) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-methylsulfanylaniline
Also Known As: 4-Thiomethyl-5-amino veratrole, 2-(methylthio)-4,5-dimethoxyaniline, 4,5-Dimethoxy-2-(methylthio)aniline, 2-Methylthio-4,5-dimethoxyaniline, 4,5-dimethoxy-2-methylsulfanylaniline
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 30058-46-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)N)SC)OC |
| InChIKey | WFGWVQXJHWFWHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Thiomethyl-5-amino veratrole (CAS 30058-46-9), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: 4,5-dimethoxy-2-methylsulfanylaniline.
Chemical Property Profile of 4-Thiomethyl-5-amino veratrole
Property Insights of 4-Thiomethyl-5-amino veratrole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiomethyl-5-amino veratrole. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiomethyl-5-amino veratrole. Following Lipinski's Rule of Five, 4-Thiomethyl-5-amino veratrole has 1 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 4-Thiomethyl-5-amino veratrole?
The CAS number of 4-Thiomethyl-5-amino veratrole is 30058-46-9.
What is the molecular formula of 4-Thiomethyl-5-amino veratrole?
The molecular formula of 4-Thiomethyl-5-amino veratrole is C9H13NO2S.
What is the molecular weight of 4-Thiomethyl-5-amino veratrole?
The molecular weight of 4-Thiomethyl-5-amino veratrole is 199.07 g/mol.
Where can I buy 4-Thiomethyl-5-amino veratrole?
You can request a quote for 4-Thiomethyl-5-amino veratrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiomethyl-5-amino veratrole?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiomethyl-5-amino veratrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.