5-(4-Chlorophenyl)-4-isobutyl-4h-1,2,4-triazole-3-thiol

Name: 5-(4-Chlorophenyl)-4-isobutyl-4h-1,2,4-triazole-3-thiol
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CAS No. 23711-26-4
Cat. No. CS-0116958
Molecule weight267.78
Purity≥97%
MDL No.None

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5-(4-Chlorophenyl)-4-isobutyl-4h-1,2,4-triazole-3-thiol|CS-0116958

Structure of 23711-26-4

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General Information

CAS No. 23711-26-4
Cat. No. CS-0116958
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₄ClN₃S
Molecular Weight 267.78
Synonym(s) 5-(4-chlorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
SMILES SC1=NN=C(C2=CC=C(Cl)C=C2)N1CC(C)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 30.71
LogP 3.5432
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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5-(4-Chlorophenyl)-4-isobutyl-4h-1,2,4-triazole-3-thiol

CAS No. 23711-26-4

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