4-Allyl-5-(1-(4-chloro-3,5-dimethylphenoxy)ethyl)-4H-1,2,4-triazole-3-thiol

Name: 4-Allyl-5-(1-(4-chloro-3,5-dimethylphenoxy)ethyl)-4H-1,2,4-triazole-3-thiol
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CAS No. 956576-82-2
Cat. No. CS-0330015
Molecule weight323.84
Purity≥97%
MDL No.None

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4-Allyl-5-(1-(4-chloro-3,5-dimethylphenoxy)ethyl)-4H-1,2,4-triazole-3-thiol|CS-0330015

Structure of 956576-82-2

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General Information

CAS No. 956576-82-2
Cat. No. CS-0330015
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₈ClN₃OS
Molecular Weight 323.84
Synonym(s) 4-Allyl-5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
SMILES C=CCN1C(=NN=C1S)C(C)OC2=CC(=C(C(=C2)C)Cl)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 4.16304
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Olefins

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Allyl-5-(1-(4-chloro-3,5-dimethylphenoxy)ethyl)-4H-1,2,4-triazole-3-thiol

CAS No. 956576-82-2

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