Base information

Cat. No.
CAS No.71050-40-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H6O3S
Molecular Weight 158.175
Exact Mass 158.004
XLogP3 1.4549
Mr 37.7703
PSA 74.77
Sequence -
Atom number 16
Bond number 16
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COc1cscc1C(=O)O

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