ISDA: 6T7J

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: MSK

IUPAC Name: Broken Fe4S4 cluster

Formal Charge: ?

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: [S-2]1[Fe]2[S-2][Fe]3[SH-2][Fe]1[S-2]23

InChI: InChI=1S/3Fe.HS.3S/h;;;1H;;;/q;;;4*-2

InChI Key: PLTOHRATWKZBSR-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: Fe4 S4

Molecular weight: 351.640

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/4Fe.4S/q;;;;;;2*+1
InChIKey	InChI	1.03	BEJQIPSIAWWLMO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23
SMILES	CACTVS	3.385	[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]
SMILES	OpenEye OEToolkits	2.0.7	S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]