2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)
TL;DR: 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) (CAS 942-50-7) 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.
(1S,2S)-2-(dimethylamino)-1-phenylpropane-1-thiol;hydrochloride
Also Known As: Boc-G-phe-NA, Z-Gpa-NA, Bis-penicillamine-enkephalin, (1s,2s)-2-(dimethylamino)-1-phenylpropane-1-thiol hydrochloride(1:1), (S-(R*,R*))-alpha-(1-(Dimethylamino)ethyl)benzenemethanethiol hydrochloride
| Molecular Formula | C11H18ClNS |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 3.03 |
| Topological Polar Surface Area | 4.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08485 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 942-50-7 |
|---|---|
| SMILES | C[C@@H]([C@H](C1=CC=CC=C1)S)N(C)C.Cl |
| InChIKey | QTXBKIOCYXITEZ-QLSWKGBWSA-N |
Product Overview
2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) (CAS 942-50-7), with molecular formula C11H18ClNS and molecular weight 231.08 g/mol. IUPAC: (1S,2S)-2-(dimethylamino)-1-phenylpropane-1-thiol;hydrochloride.
Chemical Property Profile of 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)
Property Insights of 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)
The XLogP value of 3.03 indicates that 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.2 Ų, 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) 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-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)?
The CAS number of 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) is 942-50-7.
What is the molecular formula of 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)?
The molecular formula of 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) is C11H18ClNS.
What is the molecular weight of 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)?
The molecular weight of 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) is 231.08 g/mol.
Where can I buy 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)?
You can request a quote for 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.