1-(4-Chlorophenyl)-6-thioxo-1,5,6,7-tetrahydro-4h-pyrazolo[3,4-d]pyrimidin-4-one

Name: 1-(4-Chlorophenyl)-6-thioxo-1,5,6,7-tetrahydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
Brand: ChemScene
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CAS No. 941868-08-2
Cat. No. CS-0355904
Purity≥98%
MDL No.None

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1-(4-Chlorophenyl)-6-thioxo-1,5,6,7-tetrahydro-4h-pyrazolo[3,4-d]pyrimidin-4-one|CS-0355904

Structure of 941868-08-2

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General Information

CAS No. 941868-08-2
Cat. No. CS-0355904
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₇ClN₄OS
Molecular Weight 278.72
Synonym(s) 1-(4-chlorophenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES S=C1NC2=C(C(N1)=O)C=NN2C3=CC=C(Cl)C=C3

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 66.47
LogP 2.42479
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-Chlorophenyl)-6-thioxo-1,5,6,7-tetrahydro-4h-pyrazolo[3,4-d]pyrimidin-4-one

CAS No. 941868-08-2

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