ISDA: 4EB7

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: FES

IUPAC Name: FE2/S2 (INORGANIC) CLUSTER

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [S-2]1[Fe][S-2][Fe]1

InChI: InChI=1S/2Fe.2S/q;;2*-2

InChI Key: ZIDRAHUJDNSRQY-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: Fe2 S2

Molecular weight: 175.820

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 4

Systematic name

Program	Version	Descriptor
ACDLabs	10.04	di-mu-sulfidediiron
OpenEye OEToolkits	1.5.0	1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[Fe]1S[Fe]S1
SMILES_CANONICAL	CACTVS	3.341	S1[Fe]S[Fe]1
SMILES	CACTVS	3.341	S1[Fe]S[Fe]1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	S1[Fe]S[Fe]1
SMILES	OpenEye OEToolkits	1.5.0	S1[Fe]S[Fe]1
InChI	InChI	1.03	InChI=1S/2Fe.2S
InChIKey	InChI	1.03	NIXDOXVAJZFRNF-UHFFFAOYSA-N

Chemical Database Mapping

Database	Reference ID
PubChem	174507265
ChEBI	CHEBI:33739
SureChEMBL	27657740