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4-isothiocyanato-1-pyridin-3-ylbutan-1-one

4-isothiocyanato-1-pyridin-3-ylbutan-1-one structure

CAS No:
123529-37-3
Formula:
C10H10N2OS
Chemical Name:
4-isothiocyanato-1-pyridin-3-ylbutan-1-one
Synonyms:
123529-37-3;1-Butanone, 4-isothiocyanato-1-(3-pyridinyl)-;4-Oxo-4-(3-pyridyl)butyl isothiocyanate;CCRIS 3149;4-isothiocyanato-1-pyridin-3-ylbutan-1-one;SCHEMBL6326642;DTXSID60154033;4-Isothiocyanato-1-(3-pyridyl)-1-butanone

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4-isothiocyanato-1-pyridin-3-ylbutan-1-one Basic Attributes

Molecular Weight：

206.27 g/mol

Exact Mass：

206.05138412 g/mol

DSSTox ID：

DTXSID60154033

Characteristics

PSA：

74.4 Å²

XLogP3：

1.79 (LogP)

Computed Properties

Molecular Weight:206.27
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:206.05138412
Monoisotopic Mass:206.05138412
Topological Polar Surface Area:74.4
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-isothiocyanato-1-pyridin-3-ylbutan-1-one

Basic Attributes
Characteristics
Computed Properties

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