6-(Methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

Name: 6-(Methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
Brand: ChemScene
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CAS No. 100047-42-5
Cat. No. CS-0129627
Molecule weight182.20
Purity95+%
MDL No.MFCD09754087

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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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6-(Methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one|CS-0129627

Structure of 100047-42-5

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General Information

CAS No. 100047-42-5
Cat. No. CS-0129627
Purity 95+%
MDL No. MFCD09754087
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆N₄OS
Molecular Weight 182.20
Synonym(s) 6-(Methylthio)-1H-pyrazolo[3,4-D]pyrimidin-3(2H)-one
SMILES O=C1NNC2=NC(SC)=NC=C21

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 74.43
LogP 0.3681
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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6-(Methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

CAS No. 100047-42-5

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