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

U5Z

Summary
Name:1-[(4-fluorophenyl)amino]thiourea
Formula:C7 H8 F N3 S
Formal charge:0
Formula weight:185.222 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[(4-fluorophenyl)amino]thiourea

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKeyInChI1.03KQNHAXWTVPXGMP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=S)NNc1ccc(F)cc1
SMILESCACTVS3.385NC(=S)NNc1ccc(F)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1NNC(=S)N)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1NNC(=S)N)F

225681

PDB entries from 2024-10-02

PDB statisticsPDBj update infoContact PDBjnumon