3-(Methylthio)propyl isothiocyanate

Catalog	ACM505793
CAS	505-79-3
Structure
Synonyms	Iberverin
IUPAC Name	1-Isothiocyanato-3-methylsulfanylpropane
Molecular Weight	147.3
Molecular Formula	C5H9NS2
Canonical SMILES	CSCCCN=C=S
InChI	InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
InChI Key	LDKSCZJUIURGMW-UHFFFAOYSA-N
Boiling Point	254 °C
Flash Point	>230 °F
Purity	95%+
Density	1.102 g/mL at 25 °C(lit.)
Solubility	Insoluble in water
Appearance	colorless to yellow clear liquid
Exact Mass	147.01764164
Monoisotopic Mass	147.01764164
Physical State	Liquid
Refractive Index	n20/D 1.564(lit.)
Topological Polar Surface Area	69.8 Ų