Structural Complex
Chemical ID: F3S
IUPAC Name: FE3-S4 CLUSTER
Formal Charge: ?
Type: NON-POLYMER
Substructure
Substruture Type: MurckoScaffold
SMILES: [S-2]1[Fe]2[S-2][Fe]3[S-2][Fe]1[S-2]23
InChI: InChI=1S/3Fe.4S/q;;;4*-2
InChI Key: FTEYRLVEMMRQKN-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: Fe3 S4
Molecular weight: 295.795
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 0
Rotatable Bonds: 0
Heavy Atoms: 7
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/3Fe.4S
InChIKey InChI 1.06 FCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 S1[Fe]S[Fe]2S[Fe]1S2
SMILES CACTVS 3.385 S1[Fe]S[Fe]2S[Fe]1S2
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 S1[Fe]2S[Fe]3[S]2[Fe]1S3
SMILES OpenEye OEToolkits 2.0.7 S1[Fe]2S[Fe]3[S]2[Fe]1S3
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