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Phenylethyl isothiocyanate 2-Isothiocyanatoethylbenzene	Predict NMR spectrum	RN:  2257-09-2 MF:  C9H9NS MW:  163.23716 bp (°C):  113  (p=1 torr) density:  1.1 nd:  1.586  - 1.591
InChI:  1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 InChIKey:  IZJDOKYDEWTZSO-UHFFFAOYSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  3 Stereocenter:  0	cLogP:  3.802 cLogS:  -2.558 Polar surface:  44.45 NEW: 3D model:  Show
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