5-(4-Methylphenoxymethyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazole-3-thiol

Name: 5-(4-Methylphenoxymethyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazole-3-thiol
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CAS No. 669709-47-1
Cat. No. CS-0222168
Molecule weight261.34
Purity95+%
MDL No.None

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5-(4-Methylphenoxymethyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazole-3-thiol|CS-0222168

Structure of 669709-47-1

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General Information

CAS No. 669709-47-1
Cat. No. CS-0222168
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₅N₃OS
Molecular Weight 261.34
Synonym(s) 4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
SMILES C=CCN1C(=NN=C1S)COC2=CC=C(C)C=C2

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 2.64022
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Ether

Building Blocks Functional Group Olefins

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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5-(4-Methylphenoxymethyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazole-3-thiol

CAS No. 669709-47-1

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