2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one

C20H24O3SSi — CID 70478072

IUPAC2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one
SMILESCC(C)(O[Si](C)(C)C)C(=O)c1ccc2c(c1)Cc1ccccc1S2=O
InChIInChI=1S/C20H24O3SSi/c1-20(2,23-25(3,4)5)19(21)15-10-11-18-16(13-15)12-14-8-6-7-9-17(14)24(18)22/h6-11,13H,12H2,1-5H3
InChIKeyWBGQBUKNNFKIFH-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.57
Rot. Bonds4

About 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one

2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one (PubChem CID 70478072) has the molecular formula C20H24O3SSi and a molecular weight of 372.56 g/mol. Its IUPAC name is 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one
PubChem CID70478072
Molecular FormulaC20H24O3SSi
Molecular Weight372.56 g/mol
Exact Mass372.12
IUPAC Name2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one
SMILESCC(C)(O[Si](C)(C)C)C(=O)c1ccc2c(c1)Cc1ccccc1S2=O
InChIInChI=1S/C20H24O3SSi/c1-20(2,23-25(3,4)5)19(21)15-10-11-18-16(13-15)12-14-8-6-7-9-17(14)24(18)22/h6-11,13H,12H2,1-5H3
InChIKeyWBGQBUKNNFKIFH-UHFFFAOYSA-N
XLogP4.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one?
The IUPAC name of 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one (CID 70478072) is 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one?
The canonical SMILES for 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one is CC(C)(O[Si](C)(C)C)C(=O)c1ccc2c(c1)Cc1ccccc1S2=O.
What is the InChIKey of 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one?
The InChIKey is WBGQBUKNNFKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3SSi/c1-20(2,23-25(3,4)5)19(21)15-10-11-18-16(13-15)12-14-8-6-7-9-17(14)24(18)22/h6-11,13H,12H2,1-5H3.
What are the key properties of 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one?
2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one has a molecular weight of 372.56 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 70478072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).