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3-(Methylthio)Propyl Isothiocyanate

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3-(Methylthio)Propyl Isothiocyanate / CAS : 505-79-3

Appearance Colorless to yellow transparent liquid UN 2810
HS 29309090 DG Class 6.1
Synonyms Isothiocyanic Acid 3-(Methylthio)Propyl Ester; 1-Isothiocyanato-3-Methylsulfanylpropane; 1-Isothiocyanato-3-(Methylthio)-Propane; Propane, 1-Isothiocyanato-3-(Methylthio)-; Methylthiopropylisothiocyanate; (3-Isothiocyanatopropyl)(Methyl)Sulfane
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Properties

Summary

Formula
C5H9NS2
Molecular Mass
147.26200
Exact Mass
147.01800
PSA
69.75000
Logp
1.84230
IUPAC
1-isothiocyanato-3-methylsulfanylpropane
SMILES
CSCCCN=C=S

Attribute classification

Matter Classification
organic
Category
Flavors and Fragrances > Essence
Flavors and Fragrances > Spice

Chemical and Physical Properties

Density
1.102 g/mL
Boiling Point
254 °C
Flash Point
>230 °F
Appearance
Colorless to yellow transparent liquid

Export information

HS Code
29309090
Export Rebate
13%
UN No.
2810
DG-Class
6.1
Risk Code
R23/24/25-36/38
Safety Label
Xi

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