Base information

Cat. No.
CAS No.2131-63-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H5NO2S
Molecular Weight 179.196
Exact Mass 179.004
XLogP3 2.1191
Mr 48.0873
PSA 81.75
Sequence -
Atom number 17
Bond number 17
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles S=C=Nc1cccc(c1)C(=O)O

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