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About This Item
Linear Formula:
(CH3)2C6H3SH
CAS Number:
Molecular Weight:
138.23
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
253-901-8
MDL number:
assay
96%
refractive index
n20/D 1.568 (lit.)
bp
127.5 °C/50 mmHg (lit.)
density
1.015 g/mL at 25 °C (lit.)
SMILES string
Cc1cc(C)cc(S)c1
InChI
1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChI key
CESBAYSBPMVAEI-UHFFFAOYSA-N
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Homan Kang et al.
Scientific reports, 5, 10144-10144 (2015-05-29)
Recently, preparation and screening of compound libraries remain one of the most challenging tasks in drug discovery, biomarker detection, and biomolecular profiling processes. So far, several distinct encoding/decoding methods such as chemical encoding, graphical encoding, and optical encoding have been