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Phenyl isothiocyanate Phenyl mustard oil PITC	Predict NMR spectrum	RN:  103-72-0 MF:  C7H5NS MW:  135.1834 bp (°C):  221 mp (°C):  -21 density:  1.1288 nd:  1.649  - 1.651
InChI:  1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H InChIKey:  QKFJKGMPGYROCL-UHFFFAOYSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  1 Stereocenter:  0	cLogP:  3.314 cLogS:  -2.285 Polar surface:  44.45 NEW: 3D model:  Show
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