2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone

C11H23OPSSi — CID 134987619

IUPAC2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone
SMILESCC(C)P(=S)(C(=C=O)[Si](C)(C)C)C(C)C
InChIInChI=1S/C11H23OPSSi/c1-9(2)13(14,10(3)4)11(8-12)15(5,6)7/h9-10H,1-7H3
InChIKeyMLUQEWGBQHQYSP-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.88
Rot. Bonds4

About 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone

2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone (PubChem CID 134987619) has the molecular formula C11H23OPSSi and a molecular weight of 262.43 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone
PubChem CID134987619
Molecular FormulaC11H23OPSSi
Molecular Weight262.43 g/mol
Exact Mass262.10
IUPAC Name2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone
SMILESCC(C)P(=S)(C(=C=O)[Si](C)(C)C)C(C)C
InChIInChI=1S/C11H23OPSSi/c1-9(2)13(14,10(3)4)11(8-12)15(5,6)7/h9-10H,1-7H3
InChIKeyMLUQEWGBQHQYSP-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.88
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-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

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone?
The IUPAC name of 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone (CID 134987619) is 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone.
What is the SMILES notation for 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone?
The canonical SMILES for 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone is CC(C)P(=S)(C(=C=O)[Si](C)(C)C)C(C)C.
What is the InChIKey of 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone?
The InChIKey is MLUQEWGBQHQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OPSSi/c1-9(2)13(14,10(3)4)11(8-12)15(5,6)7/h9-10H,1-7H3.
What are the key properties of 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone?
2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone has a molecular weight of 262.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone is sourced from PubChem (CID 134987619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).