zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)

C4H12O4P2S4Zn — CID 87748746

IUPACzinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)
SMILESCOP([O-])(=S)SC.COP([O-])(=S)SC.[Zn+2]
InChIInChI=1S/2C2H7O2PS2.Zn/c2*1-4-5(3,6)7-2;/h2*1-2H3,(H,3,6);/q;;+2/p-2
InChIKeyCTGYZEBTHSGABF-UHFFFAOYSA-L
MW379.74 g/mol
LogP1.16
Rot. Bonds4

About zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)

zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane) (PubChem CID 87748746) has the molecular formula C4H12O4P2S4Zn and a molecular weight of 379.74 g/mol. Its IUPAC name is zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane).

Molecular Properties

Compound Namezinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)
PubChem CID87748746
Molecular FormulaC4H12O4P2S4Zn
Molecular Weight379.74 g/mol
Exact Mass377.84
IUPAC Namezinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)
SMILESCOP([O-])(=S)SC.COP([O-])(=S)SC.[Zn+2]
InChIInChI=1S/2C2H7O2PS2.Zn/c2*1-4-5(3,6)7-2;/h2*1-2H3,(H,3,6);/q;;+2/p-2
InChIKeyCTGYZEBTHSGABF-UHFFFAOYSA-L
XLogP1.16
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.74
LogP ≤ 51.16
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'}

Analyze zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)?
The IUPAC name of zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane) (CID 87748746) is zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane).
What is the SMILES notation for zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)?
The canonical SMILES for zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane) is COP([O-])(=S)SC.COP([O-])(=S)SC.[Zn+2].
What is the InChIKey of zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)?
The InChIKey is CTGYZEBTHSGABF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H7O2PS2.Zn/c2*1-4-5(3,6)7-2;/h2*1-2H3,(H,3,6);/q;;+2/p-2.
What are the key properties of zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)?
zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane) has a molecular weight of 379.74 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane) is sourced from PubChem (CID 87748746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).