tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)

C8H19NOPRbS2 — CID 162452339

IUPACtert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)
SMILESCC(C)(C)[N-]P(O)(=S)SC(C)(C)C.[Rb+]
InChIInChI=1S/C8H19NOPS2.Rb/c1-7(2,3)9-11(10,12)13-8(4,5)6;/h1-6H3,(H-,9,10,12);/q-1;+1
InChIKeyGVEZSZQYJZOBJZ-UHFFFAOYSA-N
MW325.82 g/mol
LogP0.91
Rot. Bonds2

About tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)

tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+) (PubChem CID 162452339) has the molecular formula C8H19NOPRbS2 and a molecular weight of 325.82 g/mol. Its IUPAC name is tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+).

Molecular Properties

Compound Nametert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)
PubChem CID162452339
Molecular FormulaC8H19NOPRbS2
Molecular Weight325.82 g/mol
Exact Mass324.98
IUPAC Nametert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)
SMILESCC(C)(C)[N-]P(O)(=S)SC(C)(C)C.[Rb+]
InChIInChI=1S/C8H19NOPS2.Rb/c1-7(2,3)9-11(10,12)13-8(4,5)6;/h1-6H3,(H-,9,10,12);/q-1;+1
InChIKeyGVEZSZQYJZOBJZ-UHFFFAOYSA-N
XLogP0.91
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)?
The IUPAC name of tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+) (CID 162452339) is tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+).
What is the SMILES notation for tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)?
The canonical SMILES for tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+) is CC(C)(C)[N-]P(O)(=S)SC(C)(C)C.[Rb+].
What is the InChIKey of tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)?
The InChIKey is GVEZSZQYJZOBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOPS2.Rb/c1-7(2,3)9-11(10,12)13-8(4,5)6;/h1-6H3,(H-,9,10,12);/q-1;+1.
What are the key properties of tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)?
tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+) has a molecular weight of 325.82 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+) is sourced from PubChem (CID 162452339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).