Base information

Cat. No.
CAS No.27691-43-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H11NO2S
Molecular Weight 245.297
Exact Mass 245.051
XLogP3 4.4103
Mr 71.472
PSA 71.12
Sequence -
Atom number 28
Bond number 29
Ring number 2
Rotor number 4
Residues number 0
Canonical smiles [O-][N+](=O)c1ccc(cc1)SCc1ccccc1

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