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Benzoyl isothiocyanate	Predict NMR spectrum	RN:  532-55-8 MF:  C8H5NOS MW:  163.1938 bp (°C):  128  - 131  (p=15 torr) mp (°C):  128  - 131 density:  1.21 nd:  1.635  - 1.637
InChI:  1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H InChIKey:  CPEKAXYCDKETEN-UHFFFAOYSA-N	H donor:  0 H acceptor:  2 Rotatable bond:  1 Stereocenter:  0	cLogP:  3.603 cLogS:  -2.575 Polar surface:  61.52 NEW: 3D model:  Show
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