(1-Adamantoyl)methyl thiocyanate
TL;DR: (1-Adamantoyl)methyl thiocyanate (CAS 300406-73-9) is a chemical compound with molecular formula C13H17NOS and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-adamantyl)-2-oxoethyl] thiocyanate
Also Known As: ChemDiv3_000574, (1-adamantoyl)methyl thiocyanate, 0KPI-0099, BAS 00533923, 1-Adamantan-1-yl-2-thiocyanato-ethanone
| Molecular Formula | C13H17NOS |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 2.98618 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.10309 |
| Heavy Atoms | 16 |
| Complexity | 322.15012 |
Chemical Identifiers
| CAS Number | 300406-73-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)CSC#N |
Product Overview
(1-Adamantoyl)methyl thiocyanate (CAS 300406-73-9), with molecular formula C13H17NOS and molecular weight 235.10 g/mol. IUPAC: [2-(1-adamantyl)-2-oxoethyl] thiocyanate.
Chemical Property Profile of (1-Adamantoyl)methyl thiocyanate
Property Insights of (1-Adamantoyl)methyl thiocyanate
The XLogP value of 2.98618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Adamantoyl)methyl thiocyanate. With a topological polar surface area (TPSA) of 40.86 Ų, (1-Adamantoyl)methyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Adamantoyl)methyl thiocyanate has 0 hydrogen bond donor(s) and 3 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 (1-Adamantoyl)methyl thiocyanate?
The CAS number of (1-Adamantoyl)methyl thiocyanate is 300406-73-9.
What is the molecular formula of (1-Adamantoyl)methyl thiocyanate?
The molecular formula of (1-Adamantoyl)methyl thiocyanate is C13H17NOS.
What is the molecular weight of (1-Adamantoyl)methyl thiocyanate?
The molecular weight of (1-Adamantoyl)methyl thiocyanate is 235.10 g/mol.
Where can I buy (1-Adamantoyl)methyl thiocyanate?
You can request a quote for (1-Adamantoyl)methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Adamantoyl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (1-Adamantoyl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.