1-(5-methylsulfinylthiophen-2-yl)ethanone

C7H8O2S2 — CID 166940375

IUPAC1-(5-methylsulfinylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(S(C)=O)s1
InChIInChI=1S/C7H8O2S2/c1-5(8)6-3-4-7(10-6)11(2)9/h3-4H,1-2H3
InChIKeyBPWYFUIPTAJFFZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds2

About 1-(5-methylsulfinylthiophen-2-yl)ethanone

1-(5-methylsulfinylthiophen-2-yl)ethanone (PubChem CID 166940375) has the molecular formula C7H8O2S2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(5-methylsulfinylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylsulfinylthiophen-2-yl)ethanone
PubChem CID166940375
Molecular FormulaC7H8O2S2
Molecular Weight188.27 g/mol
Exact Mass188.00
IUPAC Name1-(5-methylsulfinylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(S(C)=O)s1
InChIInChI=1S/C7H8O2S2/c1-5(8)6-3-4-7(10-6)11(2)9/h3-4H,1-2H3
InChIKeyBPWYFUIPTAJFFZ-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-methylsulfinylthiophene
CID 54320825
acetylene;1-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]thiophen-2-yl]ethanone;methylsulfinylmethane
CID 143385673
1-(5-methylsulfanylthiophen-2-yl)ethanone
CID 678410
CID 67152752
CID 67152752
1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
CID 14099083
1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone
CID 83817270
1-[5-(2,3,4,5,6-pentachlorophenyl)thiophen-2-yl]ethanone
CID 134618423
CID 10982063
CID 10982063
5-acetyl-N-cyclopropylthiophene-2-carboxamide
CID 9080124
1-(5-prop-2-enimidoylthiophen-2-yl)ethanone
CID 143286724
1-[5-(2-bromophenyl)thiophen-2-yl]ethanone
CID 28818946
cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 146201487

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfinylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-methylsulfinylthiophen-2-yl)ethanone (CID 166940375) is 1-(5-methylsulfinylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylsulfinylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-methylsulfinylthiophen-2-yl)ethanone is CC(=O)c1ccc(S(C)=O)s1.
What is the InChIKey of 1-(5-methylsulfinylthiophen-2-yl)ethanone?
The InChIKey is BPWYFUIPTAJFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S2/c1-5(8)6-3-4-7(10-6)11(2)9/h3-4H,1-2H3.
What are the key properties of 1-(5-methylsulfinylthiophen-2-yl)ethanone?
1-(5-methylsulfinylthiophen-2-yl)ethanone has a molecular weight of 188.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfinylthiophen-2-yl)ethanone is sourced from PubChem (CID 166940375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).