Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EUH

Summary
Name:6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
Formula:C8 H5 F3 N2 S2
Formal charge:0
Formula weight:250.264 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyInChI1.03PBRVVEXJMLEKMJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1sc2cc(SC(F)(F)F)ccc2n1
SMILESCACTVS3.385Nc1sc2cc(SC(F)(F)F)ccc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(cc1SC(F)(F)F)sc(n2)N
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1SC(F)(F)F)sc(n2)N

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon