2-(Adamantan-1-ylthio)ethanamine
TL;DR: 2-(Adamantan-1-ylthio)ethanamine (CAS 30771-87-0) is a chemical compound with molecular formula C12H21NS and molecular weight 211.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantylsulfanyl)ethanamine
Also Known As: 2-(Adamantan-1-ylthio)ethanamine, 2-(1-adamantylsulfanyl)ethanamine, 2-(1-Adamantylthio)ethanamine, 2-adamantanylthioethylamine, ChemDiv3_000358
| Molecular Formula | C12H21NS |
|---|---|
| Molecular Weight | 211.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.13947 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 30771-87-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)SCCN |
| InChIKey | OZPHISPFLDEVDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Adamantan-1-ylthio)ethanamine (CAS 30771-87-0), with molecular formula C12H21NS and molecular weight 211.14 g/mol. IUPAC: 2-(1-adamantylsulfanyl)ethanamine.
Chemical Property Profile of 2-(Adamantan-1-ylthio)ethanamine
Property Insights of 2-(Adamantan-1-ylthio)ethanamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Adamantan-1-ylthio)ethanamine. With a topological polar surface area (TPSA) of 51.3 Ų, 2-(Adamantan-1-ylthio)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Adamantan-1-ylthio)ethanamine has 1 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-(Adamantan-1-ylthio)ethanamine?
The CAS number of 2-(Adamantan-1-ylthio)ethanamine is 30771-87-0.
What is the molecular formula of 2-(Adamantan-1-ylthio)ethanamine?
The molecular formula of 2-(Adamantan-1-ylthio)ethanamine is C12H21NS.
What is the molecular weight of 2-(Adamantan-1-ylthio)ethanamine?
The molecular weight of 2-(Adamantan-1-ylthio)ethanamine is 211.14 g/mol.
Where can I buy 2-(Adamantan-1-ylthio)ethanamine?
You can request a quote for 2-(Adamantan-1-ylthio)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Adamantan-1-ylthio)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Adamantan-1-ylthio)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.