trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)

C42H87O2PS2Zn3 — CID 157469667

IUPACtrizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)
SMILES[CH2-]CCCCCCCCCCCCC.[CH2-]CCCCCCCCCCCCC.[CH2-]CCCCCCCCCCCCC.[O-]P([O-])(=S)[S-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/3C14H29.H3O2PS2.3Zn/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3(2,4)5;;;/h3*1,3-14H2,2H3;(H3,1,2,4,5);;;/q3*-1;;3*+2/p-3
InChIKeyBUWOWNODESQLLH-UHFFFAOYSA-K
MW915.43 g/mol
LogP15.04
Rot. Bonds33

About trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)

trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane) (PubChem CID 157469667) has the molecular formula C42H87O2PS2Zn3 and a molecular weight of 915.43 g/mol. Its IUPAC name is trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane).

Molecular Properties

Compound Nametrizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)
PubChem CID157469667
Molecular FormulaC42H87O2PS2Zn3
Molecular Weight915.43 g/mol
Exact Mass910.38
IUPAC Nametrizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)
SMILES[CH2-]CCCCCCCCCCCCC.[CH2-]CCCCCCCCCCCCC.[CH2-]CCCCCCCCCCCCC.[O-]P([O-])(=S)[S-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/3C14H29.H3O2PS2.3Zn/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3(2,4)5;;;/h3*1,3-14H2,2H3;(H3,1,2,4,5);;;/q3*-1;;3*+2/p-3
InChIKeyBUWOWNODESQLLH-UHFFFAOYSA-K
XLogP15.04
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.43
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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

trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)
CID 174569358
trizinc;tris(dodecane);phosphate
CID 159186439
benzene;bis(decane);dioxido-sulfanylidene-sulfido-λ5-phosphane;molybdenum(3+)
CID 159280336
zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174490213
zinc heptane
CID 4204916
copper;dodecane;phosphate
CID 175065240
zinc;decane;iodide
CID 24941167
heptadecane
CID 156905849
bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175245259
octane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174708790
dodecane;sulfanylidenenickel
CID 167433240
cerium;dodecane
CID 154114371

Frequently Asked Questions

What is the IUPAC name of trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)?
The IUPAC name of trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane) (CID 157469667) is trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane).
What is the SMILES notation for trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)?
The canonical SMILES for trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane) is [CH2-]CCCCCCCCCCCCC.[CH2-]CCCCCCCCCCCCC.[CH2-]CCCCCCCCCCCCC.[O-]P([O-])(=S)[S-].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)?
The InChIKey is BUWOWNODESQLLH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C14H29.H3O2PS2.3Zn/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3(2,4)5;;;/h3*1,3-14H2,2H3;(H3,1,2,4,5);;;/q3*-1;;3*+2/p-3.
What are the key properties of trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)?
trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane) has a molecular weight of 915.43 g/mol, XLogP of 15.04, 33 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane) is sourced from PubChem (CID 157469667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).