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

C27H57O2PS2Zn3 — CID 174569358

IUPACtrizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)
SMILES[CH2-]CCCCCCCC.[CH2-]CCCCCCCC.[CH2-]CCCCCCCC.[O-]P([O-])(=S)[S-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/3C9H19.H3O2PS2.3Zn/c3*1-3-5-7-9-8-6-4-2;1-3(2,4)5;;;/h3*1,3-9H2,2H3;(H3,1,2,4,5);;;/q3*-1;;3*+2/p-3
InChIKeyIMUDHYXGTYVAOC-UHFFFAOYSA-K
MW705.03 g/mol
LogP9.18
Rot. Bonds18

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

trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane) (PubChem CID 174569358) has the molecular formula C27H57O2PS2Zn3 and a molecular weight of 705.03 g/mol. Its IUPAC name is trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane).

Molecular Properties

Compound Nametrizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)
PubChem CID174569358
Molecular FormulaC27H57O2PS2Zn3
Molecular Weight705.03 g/mol
Exact Mass700.14
IUPAC Nametrizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)
SMILES[CH2-]CCCCCCCC.[CH2-]CCCCCCCC.[CH2-]CCCCCCCC.[O-]P([O-])(=S)[S-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/3C9H19.H3O2PS2.3Zn/c3*1-3-5-7-9-8-6-4-2;1-3(2,4)5;;;/h3*1,3-9H2,2H3;(H3,1,2,4,5);;;/q3*-1;;3*+2/p-3
InChIKeyIMUDHYXGTYVAOC-UHFFFAOYSA-K
XLogP9.18
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.03
LogP ≤ 59.18
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(tetradecane)
CID 157469667
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(nonane)?
The IUPAC name of trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane) (CID 174569358) is trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane).
What is the SMILES notation for trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)?
The canonical SMILES for trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane) is [CH2-]CCCCCCCC.[CH2-]CCCCCCCC.[CH2-]CCCCCCCC.[O-]P([O-])(=S)[S-].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)?
The InChIKey is IMUDHYXGTYVAOC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H19.H3O2PS2.3Zn/c3*1-3-5-7-9-8-6-4-2;1-3(2,4)5;;;/h3*1,3-9H2,2H3;(H3,1,2,4,5);;;/q3*-1;;3*+2/p-3.
What are the key properties of trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)?
trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane) has a molecular weight of 705.03 g/mol, XLogP of 9.18, 18 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(nonane) is sourced from PubChem (CID 174569358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).