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aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone

aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone structure

CAS No:
13096-21-4
Formula:
C10H11ClN2OS
Chemical Name:
aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone
Synonyms:
1-[4-(2-chloro-ethylsulfanyl)-nicotinoyl]-aziridine; Pyridine,3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio); 3-(1-Aziridinylcarbonyl)-4-(2-chloroethylthio)pyridine; N-4-(2-Chloroethylthio)nicotinoylethylenimine;

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aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone Basic Attributes

Molecular Weight：

242.72500

Exact Mass：

242.0280618 g/mol

DSSTox ID：

DTXSID20156816

Characteristics

PSA：

58.27000

XLogP3：

1.80620

Density：

1.38g/cm3

Boiling Point：

413.9ºC

Flash Point：

204.1ºC

Refractive Index：

1.632

Vapor Pressure：

4.64E-07mmHg at 25°C

Computed Properties

Molecular Weight:242.73
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:242.0280618
Monoisotopic Mass:242.0280618
Topological Polar Surface Area:58.3
Heavy Atom Count:15
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone

Basic Attributes
Characteristics
Computed Properties

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