zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)

C16H36O4P2S4Zn — CID 87788943

IUPACzinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)
SMILESCC(C)(C)OP(=S)([S-])OC(C)(C)C.CC(C)(C)OP(=S)([S-])OC(C)(C)C.[Zn+2]
InChIInChI=1S/2C8H19O2PS2.Zn/c2*1-7(2,3)9-11(12,13)10-8(4,5)6;/h2*1-6H3,(H,12,13);/q;;+2/p-2
InChIKeyYYGCGOWCXMSGOJ-UHFFFAOYSA-L
MW548.07 g/mol
LogP6.77
Rot. Bonds4

About zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)

zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane) (PubChem CID 87788943) has the molecular formula C16H36O4P2S4Zn and a molecular weight of 548.07 g/mol. Its IUPAC name is zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane).

Molecular Properties

Compound Namezinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)
PubChem CID87788943
Molecular FormulaC16H36O4P2S4Zn
Molecular Weight548.07 g/mol
Exact Mass546.03
IUPAC Namezinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)
SMILESCC(C)(C)OP(=S)([S-])OC(C)(C)C.CC(C)(C)OP(=S)([S-])OC(C)(C)C.[Zn+2]
InChIInChI=1S/2C8H19O2PS2.Zn/c2*1-7(2,3)9-11(12,13)10-8(4,5)6;/h2*1-6H3,(H,12,13);/q;;+2/p-2
InChIKeyYYGCGOWCXMSGOJ-UHFFFAOYSA-L
XLogP6.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.07
LogP ≤ 56.77
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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Related Compounds

chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
CID 150961079
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
CID 12896172
CID 131873404
CID 131873404
dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane
CID 159583722
disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 172832566
dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane
CID 58221077
2-[fluoro(methyl)phosphoryl]oxy-2-methylpropane
CID 567264
2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 87128310
zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 12504431
tert-butyl methoxy hydrogen phosphate
CID 172731458
chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane
CID 87622493
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782

Frequently Asked Questions

What is the IUPAC name of zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)?
The IUPAC name of zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane) (CID 87788943) is zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane).
What is the SMILES notation for zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)?
The canonical SMILES for zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane) is CC(C)(C)OP(=S)([S-])OC(C)(C)C.CC(C)(C)OP(=S)([S-])OC(C)(C)C.[Zn+2].
What is the InChIKey of zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)?
The InChIKey is YYGCGOWCXMSGOJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H19O2PS2.Zn/c2*1-7(2,3)9-11(12,13)10-8(4,5)6;/h2*1-6H3,(H,12,13);/q;;+2/p-2.
What are the key properties of zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)?
zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane) has a molecular weight of 548.07 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane) is sourced from PubChem (CID 87788943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).