2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid

Name: 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid
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CAS No. 443121-77-5
Cat. No. CS-0364168
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid|CS-0364168

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General Information

CAS No. 443121-77-5
Cat. No. CS-0364168
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₄N₄O₂S
Molecular Weight 350.39
Synonym(s) [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
SMILES C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)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 80.9
LogP 3.2045
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Triazine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid

CAS No. 443121-77-5

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