alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane

C8H22AlO2PS2 — CID 175017596

IUPACalumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(O)(=S)SCC(C)C.[AlH3]
InChIInChI=1S/C8H19O2PS2.Al.3H/c1-7(2)5-10-11(9,12)13-6-8(3)4;;;;/h7-8H,5-6H2,1-4H3,(H,9,12);;;;
InChIKeyFEMJPKNQKPJZHH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.08
Rot. Bonds6

About alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane

alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 175017596) has the molecular formula C8H22AlO2PS2 and a molecular weight of 272.35 g/mol. Its IUPAC name is alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namealumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID175017596
Molecular FormulaC8H22AlO2PS2
Molecular Weight272.35 g/mol
Exact Mass272.06
IUPAC Namealumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(O)(=S)SCC(C)C.[AlH3]
InChIInChI=1S/C8H19O2PS2.Al.3H/c1-7(2)5-10-11(9,12)13-6-8(3)4;;;;/h7-8H,5-6H2,1-4H3,(H,9,12);;;;
InChIKeyFEMJPKNQKPJZHH-UHFFFAOYSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane (CID 175017596) is alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane is CC(C)COP(O)(=S)SCC(C)C.[AlH3].
What is the InChIKey of alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is FEMJPKNQKPJZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2PS2.Al.3H/c1-7(2)5-10-11(9,12)13-6-8(3)4;;;;/h7-8H,5-6H2,1-4H3,(H,9,12);;;;.
What are the key properties of alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 272.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 175017596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).