Base information

Cat. No.
CAS No.76075-15-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C12H12N2O2S
Molecular Weight 248.301
Exact Mass 248.062
XLogP3 2.3806
Mr 66.6452
PSA 79.11
Sequence -
Atom number 29
Bond number 30
Ring number 2
Rotor number 4
Residues number 0
Canonical smiles COC(=O)c1c[nH]c(=S)n1Cc1ccccc1

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