2-butan-2-ylsulfinyl-1-phenylethanone

C12H16O2S — CID 64639265

IUPAC2-butan-2-ylsulfinyl-1-phenylethanone
SMILESCCC(C)S(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H16O2S/c1-3-10(2)15(14)9-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyLAHNADJBCLQQFJ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.42
Rot. Bonds5

About 2-butan-2-ylsulfinyl-1-phenylethanone

2-butan-2-ylsulfinyl-1-phenylethanone (PubChem CID 64639265) has the molecular formula C12H16O2S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-1-phenylethanone.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-1-phenylethanone
PubChem CID64639265
Molecular FormulaC12H16O2S
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Name2-butan-2-ylsulfinyl-1-phenylethanone
SMILESCCC(C)S(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H16O2S/c1-3-10(2)15(14)9-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyLAHNADJBCLQQFJ-UHFFFAOYSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfinyl-1-(4-chlorophenyl)ethanone
CID 64638854
2-butan-2-ylsulfinyl-1-phenylpropan-1-one
CID 64640065
butan-2-ylsulfinylmethylbenzene
CID 13450422
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
CID 64639156
1-phenylbutan-1-one
CID 10315
1-phenyl(111C)propan-1-one
CID 11159350
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
1-phenylbutan-1-one;hydrobromide
CID 139638507
4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one
CID 64638253
2-butan-2-ylsulfinyl-2-phenylacetic acid
CID 106677328
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-1-phenylethanone?
The IUPAC name of 2-butan-2-ylsulfinyl-1-phenylethanone (CID 64639265) is 2-butan-2-ylsulfinyl-1-phenylethanone.
What is the SMILES notation for 2-butan-2-ylsulfinyl-1-phenylethanone?
The canonical SMILES for 2-butan-2-ylsulfinyl-1-phenylethanone is CCC(C)S(=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-butan-2-ylsulfinyl-1-phenylethanone?
The InChIKey is LAHNADJBCLQQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-3-10(2)15(14)9-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfinyl-1-phenylethanone?
2-butan-2-ylsulfinyl-1-phenylethanone has a molecular weight of 224.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-1-phenylethanone is sourced from PubChem (CID 64639265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).