4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one

C17H18O2S2 — CID 64638484

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCS(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C17H18O2S2/c18-16(17-7-2-10-20-17)6-3-11-21(19)15-9-8-13-4-1-5-14(13)12-15/h2,7-10,12H,1,3-6,11H2
InChIKeyKDTPAOPYQGZFLS-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.01
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one

4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one (PubChem CID 64638484) has the molecular formula C17H18O2S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
PubChem CID64638484
Molecular FormulaC17H18O2S2
Molecular Weight318.46 g/mol
Exact Mass318.07
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCS(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C17H18O2S2/c18-16(17-7-2-10-20-17)6-3-11-21(19)15-9-8-13-4-1-5-14(13)12-15/h2,7-10,12H,1,3-6,11H2
InChIKeyKDTPAOPYQGZFLS-UHFFFAOYSA-N
XLogP4.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
CID 116694915
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878
4-(2,5-dichlorophenyl)sulfinyl-1-thiophen-2-ylbutan-1-one
CID 64637636
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
CID 64642953
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one
CID 64641156
5-(2,3-dihydro-1H-inden-5-ylsulfinyl)pentanenitrile
CID 63793177
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide
CID 81329335
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
CID 9479209
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one (CID 64638484) is 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one is O=C(CCCS(=O)c1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one?
The InChIKey is KDTPAOPYQGZFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S2/c18-16(17-7-2-10-20-17)6-3-11-21(19)15-9-8-13-4-1-5-14(13)12-15/h2,7-10,12H,1,3-6,11H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one?
4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one has a molecular weight of 318.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 64638484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).