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2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine

2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine structure

CAS No:
85730-32-1
Formula:
C6H6F3N3S
Chemical Name:
2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine
Synonyms:
2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine;4-Amino-2-(methylthio)-6-(trifluoromethyl)pyrimidine;2-(Methylthio)-6-(trifluoromethyl)pyrimidin-4-amine;4-Pyrimidinamine, 2-(methylthio)-6-(trifluoromethyl)-;2-Methylsulfanyl-6-trifluoromethyl-pyrimidin-4-ylamine;2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine

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2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine Basic Attributes

Molecular Weight：

209.19

Exact Mass：

209.02345286 g/mol

NSC Number：

369771

DSSTox ID：

DTXSID60235038

HScode：

2933599090

Characteristics

PSA：

77.10000

XLogP3：

2.38070

Density：

1.47±0.1 g/cm3

Melting Point：

120-121°

Boiling Point：

307.2±42.0 °C(Predicted)

Flash Point：

139.6ºC

Refractive Index：

1.527

PKA：

1.49±0.10

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:209.19
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:209.02345286
Monoisotopic Mass:209.02345286
Topological Polar Surface Area:77.1
Heavy Atom Count:13
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine

Basic Attributes
Characteristics
Safety Information
Computed Properties

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