2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone

C15H22O2S — CID 64639679

IUPAC2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H22O2S/c1-10-7-11(2)14(12(3)8-10)13(16)9-18(17)15(4,5)6/h7-8H,9H2,1-6H3
InChIKeyWTZOCOWTMJDHPF-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.34
Rot. Bonds3

About 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone

2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 64639679) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID64639679
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H22O2S/c1-10-7-11(2)14(12(3)8-10)13(16)9-18(17)15(4,5)6/h7-8H,9H2,1-6H3
InChIKeyWTZOCOWTMJDHPF-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64639475
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 64636487
2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 58259864
2,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 82121737
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
CID 83224637
tert-butyl 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylacetate
CID 116687390
2-methyl-2-[5-oxo-5-(2,4,6-trimethylphenyl)pentyl]dodecanoic acid
CID 159864700
1-(2-hydroxy-4,6-dimethylphenyl)-4,4-dimethylpentane-1,3-dione
CID 167607285
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
CID 82114243

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone (CID 64639679) is 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CS(=O)C(C)(C)C)c(C)c1.
What is the InChIKey of 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is WTZOCOWTMJDHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-10-7-11(2)14(12(3)8-10)13(16)9-18(17)15(4,5)6/h7-8H,9H2,1-6H3.
What are the key properties of 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 64639679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).