2-((6-Amino-9-benzyl-9H-purin-8-yl)thio)acetic acid

Name: 2-((6-Amino-9-benzyl-9H-purin-8-yl)thio)acetic acid
Brand: ChemScene
Availability: OutOfStock
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CAS No. 321418-06-8
Cat. No. CS-0547777
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-((6-Amino-9-benzyl-9H-purin-8-yl)thio)acetic acid|CS-0547777

Structure of 321418-06-8

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General Information

CAS No. 321418-06-8
Cat. No. CS-0547777
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₃N₅O₂S
Molecular Weight 315.35
Synonym(s) [(6-AMINO-9-BENZYL-9H-PURIN-8-YL)THIO]ACETIC ACID
SMILES C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2SCC(=O)O)N

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 106.92
LogP 1.6335
H_Acceptors 7
H_Donors 2
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Purine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-((6-Amino-9-benzyl-9H-purin-8-yl)thio)acetic acid

CAS No. 321418-06-8

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