Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
TL;DR: Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) (CAS 1131-81-3) is a chemical compound with molecular formula C11H18ClNS and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(propan-2-ylamino)ethanethiol;hydrochloride
Also Known As: alpha-(((1-Methylethyl)amino)methyl)benzenemethanethiol hydrochloride, 1-phenyl-2-(propan-2-ylamino)ethanethiol hydrochloride(1:1), 1-phenyl-2-(propan-2-ylamino)ethanethiol hydrochloride, 1-phenyl-2-(propan-2-ylamino)ethanethiol,hydrochloride, Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride
| Molecular Formula | C11H18ClNS |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08485 |
| Heavy Atoms | 14 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 1131-81-3 |
|---|---|
| SMILES | CC(C)NCC(C1=CC=CC=C1)S.Cl |
| InChIKey | ZMEWWDYOARHDKI-UHFFFAOYSA-N |
Product Overview
Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) (CAS 1131-81-3), with molecular formula C11H18ClNS and molecular weight 231.08 g/mol. IUPAC: 1-phenyl-2-(propan-2-ylamino)ethanethiol;hydrochloride.
Chemical Property Profile of Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
Property Insights of Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
The XLogP value of 3.08 indicates that Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.0 Ų, Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) 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-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)?
The CAS number of Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) is 1131-81-3.
What is the molecular formula of Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)?
The molecular formula of Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) is C11H18ClNS.
What is the molecular weight of Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)?
The molecular weight of Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) is 231.08 g/mol.
Where can I buy Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)?
You can request a quote for Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.