2-ditert-butylphosphinothioyl-2-trimethylsilylethenone

C13H27OPSSi — CID 2784424

IUPAC2-ditert-butylphosphinothioyl-2-trimethylsilylethenone
SMILESCC(C)(C)P(=S)(C(=C=O)[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27OPSSi/c1-12(2,3)15(16,13(4,5)6)11(10-14)17(7,8)9/h1-9H3
InChIKeyVKABAPDKYDJKIC-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.66
Rot. Bonds2

About 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone

2-ditert-butylphosphinothioyl-2-trimethylsilylethenone (PubChem CID 2784424) has the molecular formula C13H27OPSSi and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone.

Molecular Properties

Compound Name2-ditert-butylphosphinothioyl-2-trimethylsilylethenone
PubChem CID2784424
Molecular FormulaC13H27OPSSi
Molecular Weight290.49 g/mol
Exact Mass290.13
IUPAC Name2-ditert-butylphosphinothioyl-2-trimethylsilylethenone
SMILESCC(C)(C)P(=S)(C(=C=O)[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27OPSSi/c1-12(2,3)15(16,13(4,5)6)11(10-14)17(7,8)9/h1-9H3
InChIKeyVKABAPDKYDJKIC-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ditert-butylphosphanyl-2-trimethylsilylethenone
CID 2784074
2-Ditert-butylphosphinothioyl-2-triethylsilylethenone
CID 14495382
2-[Tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone
CID 14614280
2-Di(propan-2-yl)phosphanyl-2-trimethylsilylethenone
CID 14667412
2-Di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone
CID 134920919
2-Di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone
CID 134987619

Frequently Asked Questions

What is the IUPAC name of 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone?
The IUPAC name of 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone (CID 2784424) is 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone.
What is the SMILES notation for 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone?
The canonical SMILES for 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone is CC(C)(C)P(=S)(C(=C=O)[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone?
The InChIKey is VKABAPDKYDJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27OPSSi/c1-12(2,3)15(16,13(4,5)6)11(10-14)17(7,8)9/h1-9H3.
What are the key properties of 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone?
2-ditert-butylphosphinothioyl-2-trimethylsilylethenone has a molecular weight of 290.49 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ditert-butylphosphinothioyl-2-trimethylsilylethenone is sourced from PubChem (CID 2784424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).