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EUE

Summary
Name:6-methylsulfonyl-1,3-benzothiazol-2-amine
Formula:C8 H8 N2 O2 S2
Formal charge:0
Formula weight:228.291 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-methylsulfonyl-1,3-benzothiazol-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKeyInChI1.03ZYHNHJAMVNINSY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)c1ccc2nc(N)sc2c1
SMILESCACTVS3.385C[S](=O)(=O)c1ccc2nc(N)sc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6CS(=O)(=O)c1ccc2c(c1)sc(n2)N
SMILESOpenEye OEToolkits2.0.6CS(=O)(=O)c1ccc2c(c1)sc(n2)N

222624

PDB entries from 2024-07-17

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