2-Amino-4,5-dimethylbenzenethiol
TL;DR: 2-Amino-4,5-dimethylbenzenethiol (CAS 100601-29-4) is a chemical compound with molecular formula C8H11NS and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5-dimethylbenzenethiol
Also Known As: 2-amino-4,5-dimethylbenzenethiol, 2-amino-4,5-dimethylbenzene-1-thiol, 2-amino-4,5-dimethylthiophenol
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 100601-29-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S)N |
| InChIKey | HAHHCJDOEAKYGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,5-dimethylbenzenethiol (CAS 100601-29-4), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: 2-amino-4,5-dimethylbenzenethiol.
Chemical Property Profile of 2-Amino-4,5-dimethylbenzenethiol
Property Insights of 2-Amino-4,5-dimethylbenzenethiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4,5-dimethylbenzenethiol. With a topological polar surface area (TPSA) of 27.0 Ų, 2-Amino-4,5-dimethylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-4,5-dimethylbenzenethiol has 2 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 2-Amino-4,5-dimethylbenzenethiol?
The CAS number of 2-Amino-4,5-dimethylbenzenethiol is 100601-29-4.
What is the molecular formula of 2-Amino-4,5-dimethylbenzenethiol?
The molecular formula of 2-Amino-4,5-dimethylbenzenethiol is C8H11NS.
What is the molecular weight of 2-Amino-4,5-dimethylbenzenethiol?
The molecular weight of 2-Amino-4,5-dimethylbenzenethiol is 153.06 g/mol.
Where can I buy 2-Amino-4,5-dimethylbenzenethiol?
You can request a quote for 2-Amino-4,5-dimethylbenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,5-dimethylbenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,5-dimethylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.