(2S,5R)-buchu mercaptan

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IUPAC Name :(2S,5R)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
InChI :InChI=1/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m1/s1
Std.InChI: InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKey :RVOKNSFEAOYULQ-SFYZADRCBF
Std.InChIKey: RVOKNSFEAOYULQ-SFYZADRCSA-N
SMILES :C[C@@H]1CC[C@@H](C(=O)C1)C(C)(C)S
Molar Refractivity :53.96 ± 0.3 cm3 (est)
Parachor :451.3 ± 6.0 cm3 (est)
Index of Refraction :1.489 ± 0.02 (est)
Surface Tension :34.1 ± 3.0 dyne/cm (est)
Density :0.997 ± 0.06 g/cm3 (est)
Polarizability :21.39 ± 0.5 10-24cm3 (est)