zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane

C3H5O2PS2Zn — CID 87172276

IUPACzinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane
SMILESC=CCSP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C3H7O2PS2.Zn/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);/q;+2/p-2
InChIKeyLCLINPCYIDAPRW-UHFFFAOYSA-L
MW233.57 g/mol
LogP-0.15
Rot. Bonds3

About zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane

zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 87172276) has the molecular formula C3H5O2PS2Zn and a molecular weight of 233.57 g/mol. Its IUPAC name is zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID87172276
Molecular FormulaC3H5O2PS2Zn
Molecular Weight233.57 g/mol
Exact Mass231.88
IUPAC Namezinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane
SMILESC=CCSP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C3H7O2PS2.Zn/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);/q;+2/p-2
InChIKeyLCLINPCYIDAPRW-UHFFFAOYSA-L
XLogP-0.15
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.57
LogP ≤ 5-0.15
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'}

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Frequently Asked Questions

What is the IUPAC name of zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane (CID 87172276) is zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane is C=CCSP([O-])([O-])=S.[Zn+2].
What is the InChIKey of zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is LCLINPCYIDAPRW-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O2PS2.Zn/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);/q;+2/p-2.
What are the key properties of zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane?
zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 233.57 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc dioxido-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87172276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).