hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc

C2H7O2PS2Zn — CID 87748745

IUPAChydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCOP(O)(=S)SC.[Zn]
InChIInChI=1S/C2H7O2PS2.Zn/c1-4-5(3,6)7-2;/h1-2H3,(H,3,6);
InChIKeyRYLLTEZVAHZSBP-UHFFFAOYSA-N
MW223.57 g/mol
LogP1.21
Rot. Bonds2

About hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc

hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc (PubChem CID 87748745) has the molecular formula C2H7O2PS2Zn and a molecular weight of 223.57 g/mol. Its IUPAC name is hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namehydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc
PubChem CID87748745
Molecular FormulaC2H7O2PS2Zn
Molecular Weight223.57 g/mol
Exact Mass221.89
IUPAC Namehydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCOP(O)(=S)SC.[Zn]
InChIInChI=1S/C2H7O2PS2.Zn/c1-4-5(3,6)7-2;/h1-2H3,(H,3,6);
InChIKeyRYLLTEZVAHZSBP-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The IUPAC name of hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc (CID 87748745) is hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc is COP(O)(=S)SC.[Zn].
What is the InChIKey of hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is RYLLTEZVAHZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2PS2.Zn/c1-4-5(3,6)7-2;/h1-2H3,(H,3,6);.
What are the key properties of hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 223.57 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-methylsulfanyl-sulfanylidene-λ5-phosphane;zinc is sourced from PubChem (CID 87748745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).