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

C3H7O2PS2Zn — CID 87288634

IUPACdihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESC=CCSP(O)(O)=S.[Zn]
InChIInChI=1S/C3H7O2PS2.Zn/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);
InChIKeyIEEVOHDTUCHNCQ-UHFFFAOYSA-N
MW235.58 g/mol
LogP1.11
Rot. Bonds3

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

dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc (PubChem CID 87288634) has the molecular formula C3H7O2PS2Zn and a molecular weight of 235.58 g/mol. Its IUPAC name is dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namedihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
PubChem CID87288634
Molecular FormulaC3H7O2PS2Zn
Molecular Weight235.58 g/mol
Exact Mass233.89
IUPAC Namedihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESC=CCSP(O)(O)=S.[Zn]
InChIInChI=1S/C3H7O2PS2.Zn/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);
InChIKeyIEEVOHDTUCHNCQ-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 ≤ 500235.58
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;zinc?
The IUPAC name of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc (CID 87288634) is dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc is C=CCSP(O)(O)=S.[Zn].
What is the InChIKey of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is IEEVOHDTUCHNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2PS2.Zn/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;zinc?
dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 235.58 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;zinc is sourced from PubChem (CID 87288634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).