2-{[5-(4-tert-Butylphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Name: 2-{[5-(4-tert-Butylphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid
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CAS No. 312522-54-6
Cat. No. CS-0222326
Molecule weight367.46
Purity≥95%
MDL No.None

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2-{[5-(4-tert-Butylphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid|CS-0222326

Structure of 312522-54-6

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General Information

CAS No. 312522-54-6
Cat. No. CS-0222326
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₂₁N₃O₂S
Molecular Weight 367.46
Synonym(s) None
SMILES CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

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 68.01
LogP 4.4085
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-{[5-(4-tert-Butylphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No. 312522-54-6

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