potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)

C18H46KNNaO6P3S6 — CID 173145493

IUPACpotassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)
SMILESCC(C)OP(O)(=S)SC(C)C.CC(C)OP([O-])(=S)SC(C)C.CC(C)OP([O-])(=S)SC(C)C.N.[K+].[Na+]
InChIInChI=1S/3C6H15O2PS2.K.H3N.Na/c3*1-5(2)8-9(7,10)11-6(3)4;;;/h3*5-6H,1-4H3,(H,7,10);;1H3;/q;;;+1;;+1/p-2
InChIKeyGTXFDUZXULNXEC-UHFFFAOYSA-L
MW719.98 g/mol
LogP1.22
Rot. Bonds12

About potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)

potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane) (PubChem CID 173145493) has the molecular formula C18H46KNNaO6P3S6 and a molecular weight of 719.98 g/mol. Its IUPAC name is potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane).

Molecular Properties

Compound Namepotassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)
PubChem CID173145493
Molecular FormulaC18H46KNNaO6P3S6
Molecular Weight719.98 g/mol
Exact Mass719.04
IUPAC Namepotassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)
SMILESCC(C)OP(O)(=S)SC(C)C.CC(C)OP([O-])(=S)SC(C)C.CC(C)OP([O-])(=S)SC(C)C.N.[K+].[Na+]
InChIInChI=1S/3C6H15O2PS2.K.H3N.Na/c3*1-5(2)8-9(7,10)11-6(3)4;;;/h3*5-6H,1-4H3,(H,7,10);;1H3;/q;;;+1;;+1/p-2
InChIKeyGTXFDUZXULNXEC-UHFFFAOYSA-L
XLogP1.22
TPSA129.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.98
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane) with MolForge

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Related Compounds

sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 23699418
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
CID 88791834
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine
CID 12638082
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
copper bis(dipropan-2-yl phosphate)
CID 159825108
bis(propan-2-ylsulfanyl)phosphinic acid
CID 12518112
methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
CID 101152507
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
CID 12896172

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)?
The IUPAC name of potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane) (CID 173145493) is potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane).
What is the SMILES notation for potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)?
The canonical SMILES for potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane) is CC(C)OP(O)(=S)SC(C)C.CC(C)OP([O-])(=S)SC(C)C.CC(C)OP([O-])(=S)SC(C)C.N.[K+].[Na+].
What is the InChIKey of potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)?
The InChIKey is GTXFDUZXULNXEC-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H15O2PS2.K.H3N.Na/c3*1-5(2)8-9(7,10)11-6(3)4;;;/h3*5-6H,1-4H3,(H,7,10);;1H3;/q;;;+1;;+1/p-2.
What are the key properties of potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)?
potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane) has a molecular weight of 719.98 g/mol, XLogP of 1.22, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane) is sourced from PubChem (CID 173145493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).