zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)

C28H28O4P2S4Zn — CID 87069687

IUPACzinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESS=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.[Zn+2]
InChIInChI=1S/2C14H15O2PS2.Zn/c2*18-17(19,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,18,19);/q;;+2/p-2
InChIKeyJPZKNOFXCCIWBY-UHFFFAOYSA-L
MW684.13 g/mol
LogP8.38
Rot. Bonds12

About zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)

zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane) (PubChem CID 87069687) has the molecular formula C28H28O4P2S4Zn and a molecular weight of 684.13 g/mol. Its IUPAC name is zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane).

Molecular Properties

Compound Namezinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)
PubChem CID87069687
Molecular FormulaC28H28O4P2S4Zn
Molecular Weight684.13 g/mol
Exact Mass681.96
IUPAC Namezinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESS=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.[Zn+2]
InChIInChI=1S/2C14H15O2PS2.Zn/c2*18-17(19,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,18,19);/q;;+2/p-2
InChIKeyJPZKNOFXCCIWBY-UHFFFAOYSA-L
XLogP8.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.13
LogP ≤ 58.38
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

hydroxy-imino-bis(phenylmethoxy)-λ5-phosphane
CID 57159517
benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane
CID 6453024
difluoromethyl-bis(phenylmethoxy)-sulfanylidene-lambda5-phosphane
CID 15273575
dibenzyl hydrogen phosphate;silver
CID 85301331
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane
CID 174823623
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
benzyl tert-butyl hydrogen phosphate
CID 140989025
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
O-benzyl ethanethioate;hydrochloride
CID 140957923
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961

Frequently Asked Questions

What is the IUPAC name of zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The IUPAC name of zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane) (CID 87069687) is zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane).
What is the SMILES notation for zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The canonical SMILES for zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane) is S=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.[Zn+2].
What is the InChIKey of zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The InChIKey is JPZKNOFXCCIWBY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H15O2PS2.Zn/c2*18-17(19,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,18,19);/q;;+2/p-2.
What are the key properties of zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)?
zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane) has a molecular weight of 684.13 g/mol, XLogP of 8.38, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane) is sourced from PubChem (CID 87069687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).