Methyl 2-((6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetate

Name: Methyl 2-((6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetate
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CAS No. 489463-13-0
Cat. No. CS-0327171
Purity≥97%
MDL No.MFCD03297636

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Methyl 2-((6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetate|CS-0327171

Structure of 489463-13-0

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General Information

CAS No. 489463-13-0
Cat. No. CS-0327171
Purity ≥97%
MDL No. MFCD03297636
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₂₁F₃N₂O₂S
Molecular Weight 410.45
Synonym(s) methyl {[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
SMILES COC(=O)CSC1=NC(=CC(=C1C#N)C(F)(F)F)C23CC4CC(CC(C4)C2)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 62.98
LogP 4.70498
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ester

Building Blocks Skeleton Bridge Rings compounds Adamantane compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 2-((6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetate

CAS No. 489463-13-0

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