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4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine

4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine structure

CAS No:
5418-10-0
Formula:
C6H6N4S
Chemical Name:
4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Synonyms:
1H-Pyrazolo[3,4-d]pyrimidine,4-(methylthio)-;4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine;4-Methylthiopyrazolo[3,4-d]pyrimidine;NSC 4938;NSC 4952

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4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine Basic Attributes

Molecular Weight：

166.20400

Exact Mass：

166.20

EC Number：

226-523-6

NSC Number：

4952|4938

DSSTox ID：

DTXSID40202526

HScode：

2933990090

Characteristics

PSA：

79.76000

XLogP3：

1.07480

Density：

1.47g/cm3

Boiling Point：

382.7ºC at 760mmHg

Flash Point：

185.3ºC

Refractive Index：

1.713

Computed Properties

Molecular Weight:166.21
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:166.03131738
Monoisotopic Mass:166.03131738
Topological Polar Surface Area:79.8
Heavy Atom Count:11
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Basic Attributes
Characteristics
Computed Properties

4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine

SDS

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