2-[3-(4-chlorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]acetic acid

Name: 2-[3-(4-chlorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]acetic acid
Brand: ChemScene
Availability: InStock
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CAS No. 851116-15-9
Cat. No. CS-0233400
Molecule weight269.71
Purity≥95%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-[3-(4-chlorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]acetic acid|CS-0233400

Structure of 851116-15-9

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General Information

CAS No. 851116-15-9
Cat. No. CS-0233400
Purity ≥95%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈ClN₃O₂S
Molecular Weight 269.71
Synonym(s) 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid
SMILES O=C(O)CN1C(C2=CC=C(Cl)C=C2)=NN=C1S

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 1.9718
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Chloride

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-[3-(4-chlorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]acetic acid

CAS No. 851116-15-9

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