zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)

C12H28O4P2S4Zn — CID 12896172

IUPACzinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
SMILESCC(C)OP(=S)([S-])OC(C)C.CC(C)OP(=S)([S-])OC(C)C.[Zn+2]
InChIInChI=1S/2C6H15O2PS2.Zn/c2*1-5(2)7-9(10,11)8-6(3)4;/h2*5-6H,1-4H3,(H,10,11);/q;;+2/p-2
InChIKeyCVDZJQFKUVADND-UHFFFAOYSA-L
MW491.96 g/mol
LogP5.21
Rot. Bonds8

About zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)

zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane) (PubChem CID 12896172) has the molecular formula C12H28O4P2S4Zn and a molecular weight of 491.96 g/mol. Its IUPAC name is zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane).

Molecular Properties

Compound Namezinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
PubChem CID12896172
Molecular FormulaC12H28O4P2S4Zn
Molecular Weight491.96 g/mol
Exact Mass489.96
IUPAC Namezinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
SMILESCC(C)OP(=S)([S-])OC(C)C.CC(C)OP(=S)([S-])OC(C)C.[Zn+2]
InChIInChI=1S/2C6H15O2PS2.Zn/c2*1-5(2)7-9(10,11)8-6(3)4;/h2*5-6H,1-4H3,(H,10,11);/q;;+2/p-2
InChIKeyCVDZJQFKUVADND-UHFFFAOYSA-L
XLogP5.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.96
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)?
The IUPAC name of zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane) (CID 12896172) is zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane).
What is the SMILES notation for zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)?
The canonical SMILES for zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane) is CC(C)OP(=S)([S-])OC(C)C.CC(C)OP(=S)([S-])OC(C)C.[Zn+2].
What is the InChIKey of zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)?
The InChIKey is CVDZJQFKUVADND-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H15O2PS2.Zn/c2*1-5(2)7-9(10,11)8-6(3)4;/h2*5-6H,1-4H3,(H,10,11);/q;;+2/p-2.
What are the key properties of zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)?
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane) has a molecular weight of 491.96 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane) is sourced from PubChem (CID 12896172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).