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Alyssin

Alyssin structure

CAS No:
646-23-1
Formula:
C7H13NOS2
Chemical Name:
Alyssin
Synonyms:
Pentane,1-isothiocyanato-5-(methylsulfinyl)-;Isothiocyanic acid,5-(methylsulfinyl)pentyl ester;1-Isothiocyanato-5-(methylsulfinyl)pentane;5-Methylsulfinylpentylisothiocyanate;Alyssin
Categories:
Organic Chemistry > Cyanates

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Description

1-isothiocyanato-5-(methylsulfinyl)pentane is a sulfoxide.

Alyssin Basic Attributes

Molecular Weight：

191.31

Exact Mass：

191.31

HScode：

2930909090

Characteristics

PSA：

80.7

XLogP3：

2.50370

Density：

1.14g/cm3

Boiling Point：

130-135 °C @ Press: 0.02 Torr

Flash Point：

181.4ºC

Refractive Index：

1.558

Drug Information

MeSH Entry Terms：

alyssin

Computed Properties

Molecular Weight:191.3
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:191.04385639
Monoisotopic Mass:191.04385639
Topological Polar Surface Area:80.7
Heavy Atom Count:11
Complexity:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes