2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone

C13H21ClOSSi — CID 134893448

IUPAC2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone
SMILESC[Si](C)(C)C(C(=O)c1ccccc1)S(C)(C)Cl
InChIInChI=1S/C13H21ClOSSi/c1-16(2,14)13(17(3,4)5)12(15)11-9-7-6-8-10-11/h6-10,13H,1-5H3
InChIKeyXCAWDPAZLTUBMV-UHFFFAOYSA-N
MW288.92 g/mol
LogP4.33
Rot. Bonds4

About 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone

2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone (PubChem CID 134893448) has the molecular formula C13H21ClOSSi and a molecular weight of 288.92 g/mol. Its IUPAC name is 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone.

Molecular Properties

Compound Name2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone
PubChem CID134893448
Molecular FormulaC13H21ClOSSi
Molecular Weight288.92 g/mol
Exact Mass288.08
IUPAC Name2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone
SMILESC[Si](C)(C)C(C(=O)c1ccccc1)S(C)(C)Cl
InChIInChI=1S/C13H21ClOSSi/c1-16(2,14)13(17(3,4)5)12(15)11-9-7-6-8-10-11/h6-10,13H,1-5H3
InChIKeyXCAWDPAZLTUBMV-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.92
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone?
The IUPAC name of 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone (CID 134893448) is 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone.
What is the SMILES notation for 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone?
The canonical SMILES for 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone is C[Si](C)(C)C(C(=O)c1ccccc1)S(C)(C)Cl.
What is the InChIKey of 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone?
The InChIKey is XCAWDPAZLTUBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClOSSi/c1-16(2,14)13(17(3,4)5)12(15)11-9-7-6-8-10-11/h6-10,13H,1-5H3.
What are the key properties of 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone?
2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone has a molecular weight of 288.92 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(dimethyl)-λ4-sulfanyl]-1-phenyl-2-trimethylsilylethanone is sourced from PubChem (CID 134893448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).