5-((2,5-Dimethylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

Name: 5-((2,5-Dimethylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Brand: ChemScene
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CAS No. 588673-86-3
Cat. No. CS-0319786
Purity95+%
MDL No.None

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5-((2,5-Dimethylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol|CS-0319786

Structure of 588673-86-3

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General Information

CAS No. 588673-86-3
Cat. No. CS-0319786
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₇N₃OS
Molecular Weight 263.36
Synonym(s) 5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
SMILES CCN1C(=NN=C1S)COC2=C(C)C=CC(=C2)C

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 2.78254
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 4

Other Classifications

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-((2,5-Dimethylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

CAS No. 588673-86-3

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