1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone

C9H11BrO2S2 — CID 64638480

IUPAC1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone
SMILESCCCS(=O)CC(=O)c1sccc1Br
InChIInChI=1S/C9H11BrO2S2/c1-2-5-14(12)6-8(11)9-7(10)3-4-13-9/h3-4H,2,5-6H2,1H3
InChIKeyUNVUJLGJMOTNFY-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.85
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone

1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone (PubChem CID 64638480) has the molecular formula C9H11BrO2S2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone
PubChem CID64638480
Molecular FormulaC9H11BrO2S2
Molecular Weight295.22 g/mol
Exact Mass293.94
IUPAC Name1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone
SMILESCCCS(=O)CC(=O)c1sccc1Br
InChIInChI=1S/C9H11BrO2S2/c1-2-5-14(12)6-8(11)9-7(10)3-4-13-9/h3-4H,2,5-6H2,1H3
InChIKeyUNVUJLGJMOTNFY-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]sulfinyl-N-propylacetamide
CID 114233015
1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone
CID 64636279
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637812
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052106
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
1-(3-bromothiophen-2-yl)-2-butan-2-ylsulfanylethanone
CID 43654797
1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethanone
CID 43654827
1-(3-bromothiophen-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 114975574
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43794167
1-(3-bromothiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999884
1-(3-bromothiophen-2-yl)-2-hydroxybutan-1-one
CID 103453115

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone (CID 64638480) is 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone is CCCS(=O)CC(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone?
The InChIKey is UNVUJLGJMOTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2S2/c1-2-5-14(12)6-8(11)9-7(10)3-4-13-9/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone?
1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone has a molecular weight of 295.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone is sourced from PubChem (CID 64638480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).