zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C24H56O6P2S2Zn — CID 174490213

IUPACzinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESOP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCCCC.[CH2-]CCCCCCCCCCC.[Zn+2]
InChIInChI=1S/2C12H25.2H3O3PS.Zn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-4(2,3)5;/h2*1,3-12H2,2H3;2*(H3,1,2,3,5);/q2*-1;;;+2
InChIKeyAETNRMMKZJGHDB-UHFFFAOYSA-N
MW632.18 g/mol
LogP7.86
Rot. Bonds18

About zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)

zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 174490213) has the molecular formula C24H56O6P2S2Zn and a molecular weight of 632.18 g/mol. Its IUPAC name is zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namezinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID174490213
Molecular FormulaC24H56O6P2S2Zn
Molecular Weight632.18 g/mol
Exact Mass630.23
IUPAC Namezinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESOP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCCCC.[CH2-]CCCCCCCCCCC.[Zn+2]
InChIInChI=1S/2C12H25.2H3O3PS.Zn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-4(2,3)5;/h2*1,3-12H2,2H3;2*(H3,1,2,3,5);/q2*-1;;;+2
InChIKeyAETNRMMKZJGHDB-UHFFFAOYSA-N
XLogP7.86
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500632.18
LogP ≤ 57.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

octane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174708790
bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175245259
bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174574861
zinc heptane
CID 4204916
trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetradecane)
CID 157469667
trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(nonane)
CID 174569358
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
zinc;decane;iodide
CID 24941167
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
heptadecane
CID 156905849
neodymium;bis(octane);phosphoric acid
CID 174405180
sodium;phosphoric acid;tridecane
CID 162219181

Frequently Asked Questions

What is the IUPAC name of zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 174490213) is zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCCCC.[CH2-]CCCCCCCCCCC.[Zn+2].
What is the InChIKey of zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is AETNRMMKZJGHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25.2H3O3PS.Zn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-4(2,3)5;/h2*1,3-12H2,2H3;2*(H3,1,2,3,5);/q2*-1;;;+2.
What are the key properties of zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 632.18 g/mol, XLogP of 7.86, 18 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 174490213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).