5-(1-(2-Chloro-4-fluorophenoxy)ethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

Name: 5-(1-(2-Chloro-4-fluorophenoxy)ethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
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CAS No. 861238-55-3
Cat. No. CS-0322287
Purity≥97%
MDL No.None

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5-(1-(2-Chloro-4-fluorophenoxy)ethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol|CS-0322287

Structure of 861238-55-3

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General Information

CAS No. 861238-55-3
Cat. No. CS-0322287
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃ClFN₃OS
Molecular Weight 301.77
Synonym(s) 5-[1-(2-Chloro-4-fluorophenoxy)ethyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
SMILES CCN1C(=NN=C1S)C(C)OC2=C(C=C(C=C2)F)Cl

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 39.94
LogP 3.5192
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Mercaptan

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ether

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-(1-(2-Chloro-4-fluorophenoxy)ethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

CAS No. 861238-55-3

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