2-((6-(Adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetamide

Name: 2-((6-(Adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetamide
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CAS No. 488810-89-5
Cat. No. CS-0332022
Purity≥97%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-((6-(Adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetamide|CS-0332022

Structure of 488810-89-5

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General Information

CAS No. 488810-89-5
Cat. No. CS-0332022
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₂₀F₃N₃OS
Molecular Weight 395.44
Synonym(s) 2-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
SMILES N#CC=1C(SCC(N)=O)=NC(=CC1C(F)(F)F)C23CC4CC(CC(C2)C4)C3

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 79.77
LogP 4.01728
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Amide

Building Blocks Skeleton Bridge Rings compounds Adamantane compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-((6-(Adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetamide

CAS No. 488810-89-5

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