4-Allyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazole-3-thiol

Name: 4-Allyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazole-3-thiol
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CAS No. 777879-39-7
Cat. No. CS-0322448
Molecule weight326.21
Purity≥97%
MDL No.None

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4-Allyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazole-3-thiol|CS-0322448

Structure of 777879-39-7

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General Information

CAS No. 777879-39-7
Cat. No. CS-0322448
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₂BrN₃OS
Molecular Weight 326.21
Synonym(s) 4-Allyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
SMILES C=CCN1C(=NN=C1S)COC2=CC=C(C=C2)Br

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 3.0943
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Olefins

Building Blocks Functional Group Bromide

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-((4-bromophenoxy)methyl)-4H-1,2,4-triazole-3-thiol

CAS No. 777879-39-7

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