tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane

C8H20O4P2S2 — CID 87476242

IUPACtert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(O)(=S)OOP(O)(=S)C(C)(C)C
InChIInChI=1S/C8H20O4P2S2/c1-7(2,3)13(9,15)11-12-14(10,16)8(4,5)6/h1-6H3,(H,9,15)(H,10,16)
InChIKeyQRPOKYIOADCZOS-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane

tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 87476242) has the molecular formula C8H20O4P2S2 and a molecular weight of 306.33 g/mol. Its IUPAC name is tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID87476242
Molecular FormulaC8H20O4P2S2
Molecular Weight306.33 g/mol
Exact Mass306.03
IUPAC Nametert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(O)(=S)OOP(O)(=S)C(C)(C)C
InChIInChI=1S/C8H20O4P2S2/c1-7(2,3)13(9,15)11-12-14(10,16)8(4,5)6/h1-6H3,(H,9,15)(H,10,16)
InChIKeyQRPOKYIOADCZOS-UHFFFAOYSA-N
XLogP3.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane (CID 87476242) is tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane is CC(C)(C)P(O)(=S)OOP(O)(=S)C(C)(C)C.
What is the InChIKey of tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is QRPOKYIOADCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4P2S2/c1-7(2,3)13(9,15)11-12-14(10,16)8(4,5)6/h1-6H3,(H,9,15)(H,10,16).
What are the key properties of tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane?
tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 306.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87476242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).