IUPAC Name :1-isothiocyanato-7-methylsulfanylheptane
InChI :InChI=1/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
Std.InChI: InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
InChIKey :LDIRGNDMTOGVRB-UHFFFAOYAC
Std.InChIKey: LDIRGNDMTOGVRB-UHFFFAOYSA-N
SMILES :CSCCCCCCCN=C=S
Molar Refractivity :62.02 ± 0.5 cm3 (est)
Parachor :492.3 ± 8.0 cm3 (est)
Index of Refraction :1.518 ± 0.05
(est)
Surface Tension :33.6 ± 7.0 dyne/cm (est)
Density :0.99 ± 0.1 g/cm3 (est)
Polarizability :24.58 ± 0.5 10-24cm3 (est)