Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride
TL;DR: Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride (CAS 73688-66-1) is a chemical compound with molecular formula C8H12ClNS and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5-dimethylbenzenethiol;hydrochloride
Also Known As: 4,5-Dimethyl-2-aminobenzenethiol hydrochloride, Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride, Benzenethiol,5-dimethyl-, hydrochloride, 2-amino-4,5-dimethylbenzenethiol hydrochloride, 2-amino-4,5-dimethylbenzenethiol,hydrochloride
| Molecular Formula | C8H12ClNS |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.59614 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.0379 |
| Heavy Atoms | 11 |
| Complexity | 210.26413 |
Chemical Identifiers
| CAS Number | 73688-66-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S)N.Cl |
Product Overview
Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride (CAS 73688-66-1), with molecular formula C8H12ClNS and molecular weight 189.04 g/mol. IUPAC: 2-amino-4,5-dimethylbenzenethiol;hydrochloride.
Chemical Property Profile of Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride
Property Insights of Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride
The XLogP value of 2.59614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride. With a topological polar surface area (TPSA) of 26.02 Ų, Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride 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 Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride?
The CAS number of Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride is 73688-66-1.
What is the molecular formula of Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride?
The molecular formula of Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride is C8H12ClNS.
What is the molecular weight of Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride?
The molecular weight of Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride is 189.04 g/mol.
Where can I buy Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride?
You can request a quote for Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.