2-((5-Phenyl-1H-1,2,4-triazol-3-yl)thio)acetic acid

Name: 2-((5-Phenyl-1H-1,2,4-triazol-3-yl)thio)acetic acid
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CAS No. 58755-01-4
Cat. No. CS-0314677
Purity≥97%
MDL No.None

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2-((5-Phenyl-1H-1,2,4-triazol-3-yl)thio)acetic acid|CS-0314677

Structure of 58755-01-4

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General Information

CAS No. 58755-01-4
Cat. No. CS-0314677
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉N₃O₂S
Molecular Weight 235.26
Synonym(s) (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
SMILES C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O

Synthesis

Route1
- 3414-94-6
- ~%
- 58755-01-4
References
- Simiti; Marie; Coman; et al. Archiv der Pharmazie, 1987 , vol. 320, # 6 p. 528 - 534
Route2
- 112408-20-5
- ~%
- 58755-01-4
References
- Simiti; Marie; Coman; et al. Archiv der Pharmazie, 1987 , vol. 320, # 6 p. 528 - 534

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 78.87
LogP 1.6484
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 4

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-Phenyl-1H-1,2,4-triazol-3-yl)thio)acetic acid

CAS No. 58755-01-4

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General Information

Synthesis

References