Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride
TL;DR: Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride (CAS 3852-66-2) 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-1-phenylethanethiol;hydrochloride
Also Known As: 1-Phenyl-2-aminoethylmercaptan hydrochloride, 2-amino-1-phenylethanethiol hydrochloride, 2-amino-1-phenylethanethiol,hydrochloride, alpha-(Aminomethyl)benzenemethanethiol hydrochloride, Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride
| Molecular Formula | C8H12ClNS |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.038 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.0379 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 3852-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CN)S.Cl |
| InChIKey | LSPIWVYEIPDWBS-UHFFFAOYSA-N |
Product Overview
Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride (CAS 3852-66-2), with molecular formula C8H12ClNS and molecular weight 189.04 g/mol. IUPAC: 2-amino-1-phenylethanethiol;hydrochloride.
Chemical Property Profile of Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride
Property Insights of Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride
The XLogP value of 2.038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 27.0 Ų, Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride has 3 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 Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride?
The CAS number of Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride is 3852-66-2.
What is the molecular formula of Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride?
The molecular formula of Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride is C8H12ClNS.
What is the molecular weight of Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride?
The molecular weight of Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride is 189.04 g/mol.
Where can I buy Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride?
You can request a quote for Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanethiol, alpha-(aminomethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.