2-((4-Allyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetic acid

Name: 2-((4-Allyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetic acid
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CAS No. 742094-79-7
Cat. No. CS-0524058
Molecule weight316.34
Purity≥95%
MDL No.None

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2-((4-Allyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetic acid|CS-0524058

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General Information

CAS No. 742094-79-7
Cat. No. CS-0524058
Purity ≥95%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₂N₄O₃S
Molecular Weight 316.34
Synonym(s) 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetic acid
SMILES O=C(O)CSC1=NN=C(N2CC=C)N1C3=C(C=CC=C3)C2=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 89.49
LogP 1.4069
H_Acceptors 7
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Olefins

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Quinazoline compounds

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2-((4-Allyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetic acid

CAS No. 742094-79-7

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