2-Hydroxyamylthiobenzthiazole

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Properties Simple | Detailed

Formula C12H15NOS2
IUPAC Name (2s)-1-(1,3-benzothiazol-2-ylsulfanyl)pentan-2-ol
Molecular Mass 253.384 g·mol−1
Heat of Formation -66.4 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 299.38 Å 3
Surface Area 281.82 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey ZLKVCTNLZKODOI-VIFPVBQESA-N
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