dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron

C3H7FeO2PS2 — CID 87288662

IUPACdihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron
SMILESC=CCSP(O)(O)=S.[Fe]
InChIInChI=1S/C3H7O2PS2.Fe/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);
InChIKeyRJXVTJYUHCKFSJ-UHFFFAOYSA-N
MW226.04 g/mol
LogP1.11
Rot. Bonds3

About dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron

dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron (PubChem CID 87288662) has the molecular formula C3H7FeO2PS2 and a molecular weight of 226.04 g/mol. Its IUPAC name is dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron.

Molecular Properties

Compound Namedihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron
PubChem CID87288662
Molecular FormulaC3H7FeO2PS2
Molecular Weight226.04 g/mol
Exact Mass225.90
IUPAC Namedihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron
SMILESC=CCSP(O)(O)=S.[Fe]
InChIInChI=1S/C3H7O2PS2.Fe/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);
InChIKeyRJXVTJYUHCKFSJ-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron?
The IUPAC name of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron (CID 87288662) is dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron.
What is the SMILES notation for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron?
The canonical SMILES for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron is C=CCSP(O)(O)=S.[Fe].
What is the InChIKey of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron?
The InChIKey is RJXVTJYUHCKFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2PS2.Fe/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);.
What are the key properties of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron?
dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron has a molecular weight of 226.04 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;iron is sourced from PubChem (CID 87288662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).