iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane

C3H5FeO2PS2 — CID 87288661

IUPACiron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane
SMILESC=CCOP([O-])(=S)[S-].[Fe+2]
InChIInChI=1S/C3H7O2PS2.Fe/c1-2-3-5-6(4,7)8;/h2H,1,3H2,(H2,4,7,8);/q;+2/p-2
InChIKeyBIPQBYYSAZIOGD-UHFFFAOYSA-L
MW224.02 g/mol
LogP0.32
Rot. Bonds3

About iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane

iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 87288661) has the molecular formula C3H5FeO2PS2 and a molecular weight of 224.02 g/mol. Its IUPAC name is iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Nameiron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane
PubChem CID87288661
Molecular FormulaC3H5FeO2PS2
Molecular Weight224.02 g/mol
Exact Mass223.88
IUPAC Nameiron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane
SMILESC=CCOP([O-])(=S)[S-].[Fe+2]
InChIInChI=1S/C3H7O2PS2.Fe/c1-2-3-5-6(4,7)8;/h2H,1,3H2,(H2,4,7,8);/q;+2/p-2
InChIKeyBIPQBYYSAZIOGD-UHFFFAOYSA-L
XLogP0.32
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.02
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
CID 87309852
disodium;prop-2-enyl phosphate
CID 87157623
zinc prop-2-enyl phosphate
CID 87515855
methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
CID 15367276
ethenyl(prop-2-enoxy)phosphinate
CID 71349552
sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
CID 23701941
zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
CID 88639643
azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 87783945
di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54040298
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54357760
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346

Frequently Asked Questions

What is the IUPAC name of iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane (CID 87288661) is iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane is C=CCOP([O-])(=S)[S-].[Fe+2].
What is the InChIKey of iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is BIPQBYYSAZIOGD-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O2PS2.Fe/c1-2-3-5-6(4,7)8;/h2H,1,3H2,(H2,4,7,8);/q;+2/p-2.
What are the key properties of iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane?
iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 224.02 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 87288661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).