5-((3-(Trifluoromethyl)benzyl)thio)-1H-1,2,4-triazole

Name: 5-((3-(Trifluoromethyl)benzyl)thio)-1H-1,2,4-triazole
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CAS No. 338393-05-8
Cat. No. CS-0605376
Purity≥98%
MDL No.None

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5-((3-(Trifluoromethyl)benzyl)thio)-1H-1,2,4-triazole|CS-0605376

Structure of 338393-05-8

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General Information

CAS No. 338393-05-8
Cat. No. CS-0605376
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈F₃N₃S
Molecular Weight 259.25
Synonym(s) None
SMILES C1=CC(=CC(=C1)C(F)(F)F)CSC2=NC=NN2

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 41.57
LogP 3.1158
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-((3-(Trifluoromethyl)benzyl)thio)-1H-1,2,4-triazole

CAS No. 338393-05-8

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