2-ditert-butylphosphinothioyl-2-triethylsilylethenone

C16H33OPSSi — CID 14495382

IUPAC2-ditert-butylphosphinothioyl-2-triethylsilylethenone
SMILESCC[Si](CC)(CC)C(=C=O)P(=S)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33OPSSi/c1-10-20(11-2,12-3)14(13-17)18(19,15(4,5)6)16(7,8)9/h10-12H2,1-9H3
InChIKeySKKBBQHOJNGTSC-UHFFFAOYSA-N
MW332.57 g/mol
LogP5.83
Rot. Bonds5

About 2-ditert-butylphosphinothioyl-2-triethylsilylethenone

2-ditert-butylphosphinothioyl-2-triethylsilylethenone (PubChem CID 14495382) has the molecular formula C16H33OPSSi and a molecular weight of 332.57 g/mol. Its IUPAC name is 2-ditert-butylphosphinothioyl-2-triethylsilylethenone.

Molecular Properties

Compound Name2-ditert-butylphosphinothioyl-2-triethylsilylethenone
PubChem CID14495382
Molecular FormulaC16H33OPSSi
Molecular Weight332.57 g/mol
Exact Mass332.18
IUPAC Name2-ditert-butylphosphinothioyl-2-triethylsilylethenone
SMILESCC[Si](CC)(CC)C(=C=O)P(=S)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33OPSSi/c1-10-20(11-2,12-3)14(13-17)18(19,15(4,5)6)16(7,8)9/h10-12H2,1-9H3
InChIKeySKKBBQHOJNGTSC-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 55.83
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-trimethylsilylethenone
CID 2784424
2-[Tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone
CID 14614280
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-triethylsilylethenone?
The IUPAC name of 2-ditert-butylphosphinothioyl-2-triethylsilylethenone (CID 14495382) is 2-ditert-butylphosphinothioyl-2-triethylsilylethenone.
What is the SMILES notation for 2-ditert-butylphosphinothioyl-2-triethylsilylethenone?
The canonical SMILES for 2-ditert-butylphosphinothioyl-2-triethylsilylethenone is CC[Si](CC)(CC)C(=C=O)P(=S)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-ditert-butylphosphinothioyl-2-triethylsilylethenone?
The InChIKey is SKKBBQHOJNGTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33OPSSi/c1-10-20(11-2,12-3)14(13-17)18(19,15(4,5)6)16(7,8)9/h10-12H2,1-9H3.
What are the key properties of 2-ditert-butylphosphinothioyl-2-triethylsilylethenone?
2-ditert-butylphosphinothioyl-2-triethylsilylethenone has a molecular weight of 332.57 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ditert-butylphosphinothioyl-2-triethylsilylethenone is sourced from PubChem (CID 14495382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).