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2-(Trifluoromethyl)-4(3H)-pyrimidinethione

2-(Trifluoromethyl)-4(3H)-pyrimidinethione structure

CAS No:
672-43-5
Formula:
C5H3F3N2S
Chemical Name:
2-(Trifluoromethyl)-4(3H)-pyrimidinethione
Synonyms:
4(3H)-Pyrimidinethione,2-(trifluoromethyl)-;4-Pyrimidinethiol,2-(trifluoromethyl)-;4(1H)-Pyrimidinethione,2-(trifluoromethyl)-;2-(Trifluoromethyl)-4(3H)-pyrimidinethione;NSC 54426;2-(Trifluoromethyl)pyrimidine-4-thiol;2-(Trifluoromethyl)-1H-pyrimidine-6-thione

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2-(Trifluoromethyl)-4(3H)-pyrimidinethione Basic Attributes

Molecular Weight：

180.15100

Exact Mass：

180.15

NSC Number：

54426

DSSTox ID：

DTXSID50398282

HScode：

2933599090

Characteristics

PSA：

60.77000

XLogP3：

2.15800

Density：

1.54g/cm3

Boiling Point：

144.7ºC at 760 mmHg

Flash Point：

41.3ºC

Refractive Index：

1.54

Computed Properties

Molecular Weight:180.15
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:179.99690376
Monoisotopic Mass:179.99690376
Topological Polar Surface Area:56.5
Heavy Atom Count:11
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Trifluoromethyl)-4(3H)-pyrimidinethione

Basic Attributes
Characteristics
Computed Properties

2-(Trifluoromethyl)-4(3H)-pyrimidinethione

SDS

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