praseodymium(3+);trithiocyanate;heptahydrate

C3H14N3O7PrS3 — CID 6431942

IUPACpraseodymium(3+);trithiocyanate;heptahydrate
SMILESN#C[S-].N#C[S-].N#C[S-].O.O.O.O.O.O.O.[Pr+3]
InChIInChI=1S/3CHNS.7H2O.Pr/c3*2-1-3;;;;;;;;/h3*3H;7*1H2;/q;;;;;;;;;;+3/p-3
InChIKeyWPOVOMYOMOETAD-UHFFFAOYSA-K
MW441.27 g/mol
LogP-5.73
Rot. Bonds

About praseodymium(3+);trithiocyanate;heptahydrate

praseodymium(3+);trithiocyanate;heptahydrate (PubChem CID 6431942) has the molecular formula C3H14N3O7PrS3 and a molecular weight of 441.27 g/mol. Its IUPAC name is praseodymium(3+);trithiocyanate;heptahydrate.

Molecular Properties

Compound Namepraseodymium(3+);trithiocyanate;heptahydrate
PubChem CID6431942
Molecular FormulaC3H14N3O7PrS3
Molecular Weight441.27 g/mol
Exact Mass440.91
IUPAC Namepraseodymium(3+);trithiocyanate;heptahydrate
SMILESN#C[S-].N#C[S-].N#C[S-].O.O.O.O.O.O.O.[Pr+3]
InChIInChI=1S/3CHNS.7H2O.Pr/c3*2-1-3;;;;;;;;/h3*3H;7*1H2;/q;;;;;;;;;;+3/p-3
InChIKeyWPOVOMYOMOETAD-UHFFFAOYSA-K
XLogP-5.73
TPSA291.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 5-5.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Calcium dithiocyanate tetrahydrate
CID 71311243
Calcium thiocyanate, tetrahydrate
CID 57352182
Nickel(2+);dithiocyanate;hexahydrate
CID 3084165
Manganese(II) thiocyanate tetrahydrate
CID 129719471
Barium thiocya-nate tetrahydrate
CID 129731365
Praseodymium thiocyanate heptahydrate
CID 129771164
Dysprosium thiocyanate heptahydrate
CID 129771762
Magnesium;dithiocyanate;tetrahydrate
CID 139685263
Yttrium(3+);trithiocyanate;hexahydrate
CID 142763107
Samarium isothiocyanate hexahydrate
CID 6431940
Neodymium isothiocyanate heptahydrate
CID 6431941
Lanthanum isothiocyanate heptahydrate
CID 6431943

Frequently Asked Questions

What is the IUPAC name of praseodymium(3+);trithiocyanate;heptahydrate?
The IUPAC name of praseodymium(3+);trithiocyanate;heptahydrate (CID 6431942) is praseodymium(3+);trithiocyanate;heptahydrate.
What is the SMILES notation for praseodymium(3+);trithiocyanate;heptahydrate?
The canonical SMILES for praseodymium(3+);trithiocyanate;heptahydrate is N#C[S-].N#C[S-].N#C[S-].O.O.O.O.O.O.O.[Pr+3].
What is the InChIKey of praseodymium(3+);trithiocyanate;heptahydrate?
The InChIKey is WPOVOMYOMOETAD-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHNS.7H2O.Pr/c3*2-1-3;;;;;;;;/h3*3H;7*1H2;/q;;;;;;;;;;+3/p-3.
What are the key properties of praseodymium(3+);trithiocyanate;heptahydrate?
praseodymium(3+);trithiocyanate;heptahydrate has a molecular weight of 441.27 g/mol, XLogP of -5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for praseodymium(3+);trithiocyanate;heptahydrate is sourced from PubChem (CID 6431942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).