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

Name: 5-((3-Chloro-4-fluorophenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
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CAS No. 861410-48-2
Cat. No. CS-0330847
Purity≥97%
MDL No.None

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5-((3-Chloro-4-fluorophenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol|CS-0330847

Structure of 861410-48-2

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General Information

CAS No. 861410-48-2
Cat. No. CS-0330847
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉ClFN₃OS
Molecular Weight 273.71
Synonym(s) 5-[(3-Chloro-4-fluorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
SMILES CN1C(=NN=C1S)COC2=CC(=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 2.4753
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Mercaptan

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ether

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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

CAS No. 861410-48-2

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