tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc

H12O12P4S4Zn2 — CID 174914506

IUPACtetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
SMILESOP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.[Zn].[Zn]
InChIInChI=1S/4H3O3PS.2Zn/c4*1-4(2,3)5;;/h4*(H3,1,2,3,5);;
InChIKeyVTBHJLHGZNJTMP-UHFFFAOYSA-N
MW587.03 g/mol
LogP-3.25
Rot. Bonds

About tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc

tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc (PubChem CID 174914506) has the molecular formula H12O12P4S4Zn2 and a molecular weight of 587.03 g/mol. Its IUPAC name is tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc.

Molecular Properties

Compound Nametetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
PubChem CID174914506
Molecular FormulaH12O12P4S4Zn2
Molecular Weight587.03 g/mol
Exact Mass583.67
IUPAC Nametetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
SMILESOP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.[Zn].[Zn]
InChIInChI=1S/4H3O3PS.2Zn/c4*1-4(2,3)5;;/h4*(H3,1,2,3,5);;
InChIKeyVTBHJLHGZNJTMP-UHFFFAOYSA-N
XLogP-3.25
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.03
LogP ≤ 5-3.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azanide;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174724597
bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc;dihydrate
CID 175281748
CID 173075577
CID 173075577
CID 173186715
CID 173186715
magnesium;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174644502
sodium;hydride;pentakis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175387653
molybdenum;rhenium;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174835711
lithium;hydride;trihydroxy(sulfanylidene)-λ5-phosphane;hydrochloride
CID 175073522
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175125290
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
CID 173161115
CID 173161115

Frequently Asked Questions

What is the IUPAC name of tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc?
The IUPAC name of tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc (CID 174914506) is tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc.
What is the SMILES notation for tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc?
The canonical SMILES for tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc is OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.[Zn].[Zn].
What is the InChIKey of tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc?
The InChIKey is VTBHJLHGZNJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/4H3O3PS.2Zn/c4*1-4(2,3)5;;/h4*(H3,1,2,3,5);;.
What are the key properties of tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc?
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc has a molecular weight of 587.03 g/mol, XLogP of -3.25, 0 rotatable bonds, 12 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc is sourced from PubChem (CID 174914506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).