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1-Pentanethiol	NEW: Predict NMR spectrum	RN:  110-66-7 MF:  C5H12S MW:  104.21028 bp (°C):  123  - 124 density:  0.84 nd:  1.4455  - 1.4475
InChI:  1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3 InChIKey:  ZRKMQKLGEQPLNS-UHFFFAOYSA-N	H donor:  0 H acceptor:  0 Rotatable bond:  3 Stereocenter:  0	cLogP:  2.897 cLogS:  -2.451 Polar surface:  38.8
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