copper;1,2-thiazol-3-yl dihydrogen phosphate

C3H4CuNO4PS — CID 175176732

IUPACcopper;1,2-thiazol-3-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccsn1.[Cu]
InChIInChI=1S/C3H4NO4PS.Cu/c5-9(6,7)8-3-1-2-10-4-3;/h1-2H,(H2,5,6,7);
InChIKeyWVTZAVUSCDLYCN-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.61
Rot. Bonds2

About copper;1,2-thiazol-3-yl dihydrogen phosphate

copper;1,2-thiazol-3-yl dihydrogen phosphate (PubChem CID 175176732) has the molecular formula C3H4CuNO4PS and a molecular weight of 244.66 g/mol. Its IUPAC name is copper;1,2-thiazol-3-yl dihydrogen phosphate.

Molecular Properties

Compound Namecopper;1,2-thiazol-3-yl dihydrogen phosphate
PubChem CID175176732
Molecular FormulaC3H4CuNO4PS
Molecular Weight244.66 g/mol
Exact Mass243.89
IUPAC Namecopper;1,2-thiazol-3-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccsn1.[Cu]
InChIInChI=1S/C3H4NO4PS.Cu/c5-9(6,7)8-3-1-2-10-4-3;/h1-2H,(H2,5,6,7);
InChIKeyWVTZAVUSCDLYCN-UHFFFAOYSA-N
XLogP0.61
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;1,2-thiazol-3-yl dihydrogen phosphate?
The IUPAC name of copper;1,2-thiazol-3-yl dihydrogen phosphate (CID 175176732) is copper;1,2-thiazol-3-yl dihydrogen phosphate.
What is the SMILES notation for copper;1,2-thiazol-3-yl dihydrogen phosphate?
The canonical SMILES for copper;1,2-thiazol-3-yl dihydrogen phosphate is O=P(O)(O)Oc1ccsn1.[Cu].
What is the InChIKey of copper;1,2-thiazol-3-yl dihydrogen phosphate?
The InChIKey is WVTZAVUSCDLYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NO4PS.Cu/c5-9(6,7)8-3-1-2-10-4-3;/h1-2H,(H2,5,6,7);.
What are the key properties of copper;1,2-thiazol-3-yl dihydrogen phosphate?
copper;1,2-thiazol-3-yl dihydrogen phosphate has a molecular weight of 244.66 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,2-thiazol-3-yl dihydrogen phosphate is sourced from PubChem (CID 175176732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).