ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane

C8H19OPS — CID 4593041

IUPACditert-butyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(O)(=S)C(C)(C)C
InChIInChI=1S/C8H19OPS/c1-7(2,3)10(9,11)8(4,5)6/h1-6H3,(H,9,11)
InChIKeyUZUNEIKAMRGEMY-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.97
Rot. Bonds

About ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane

ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 4593041) has the molecular formula C8H19OPS and a molecular weight of 194.28 g/mol. Its IUPAC name is ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameditert-butyl-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID4593041
Molecular FormulaC8H19OPS
Molecular Weight194.28 g/mol
Exact Mass194.09
IUPAC Nameditert-butyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(O)(=S)C(C)(C)C
InChIInChI=1S/C8H19OPS/c1-7(2,3)10(9,11)8(4,5)6/h1-6H3,(H,9,11)
InChIKeyUZUNEIKAMRGEMY-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane (CID 4593041) is ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane is CC(C)(C)P(O)(=S)C(C)(C)C.
What is the InChIKey of ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is UZUNEIKAMRGEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19OPS/c1-7(2,3)10(9,11)8(4,5)6/h1-6H3,(H,9,11).
What are the key properties of ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane?
ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 194.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 4593041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).