6-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol

Name: 6-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
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CAS No. 5399-43-9
Cat. No. CS-0453421
Purity≥98%
MDL No.None

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6-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol|CS-0453421

Structure of 5399-43-9

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General Information

CAS No. 5399-43-9
Cat. No. CS-0453421
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₀N₄S
Molecular Weight 242.30
Synonym(s) 6-methyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-thione
SMILES CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)S

Synthesis

Route1
- 91974-63-9
- ~%
- 5399-43-9
References
- Cheng; Robins Journal of Organic Chemistry, 1958 , vol. 23, p. 191,195

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 43.6
LogP 2.41262
H_Acceptors 5
H_Donors 1
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

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6-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol

CAS No. 5399-43-9

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