2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone

C17H20O2S2 — CID 64638488

IUPAC2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H20O2S2/c1-12-5-10-16(20-12)15(18)11-21(19)14-8-6-13(7-9-14)17(2,3)4/h5-10H,11H2,1-4H3
InChIKeyAEFYHJHWRONYSL-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.34
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone

2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 64638488) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID64638488
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H20O2S2/c1-12-5-10-16(20-12)15(18)11-21(19)14-8-6-13(7-9-14)17(2,3)4/h5-10H,11H2,1-4H3
InChIKeyAEFYHJHWRONYSL-UHFFFAOYSA-N
XLogP4.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636687
2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637243
2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636680
2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64639257
2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64640094
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-one
CID 103024423
1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
1-tert-butyl-4-[(4-tert-butylphenyl)sulfinylmethyl]benzene
CID 102104954
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
6-(4-tert-butylphenyl)sulfinylhexan-2-one
CID 64638683
1-(5-methylthiophen-2-yl)pent-3-yn-1-one
CID 114964957
5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
CID 2760078

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (CID 64638488) is 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CS(=O)c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is AEFYHJHWRONYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c1-12-5-10-16(20-12)15(18)11-21(19)14-8-6-13(7-9-14)17(2,3)4/h5-10H,11H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 320.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 64638488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).