2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone

C12H8Br2OS2 — CID 43654841

IUPAC2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
SMILESO=C(CSc1ccccc1Br)c1sccc1Br
InChIInChI=1S/C12H8Br2OS2/c13-8-3-1-2-4-11(8)17-7-10(15)12-9(14)5-6-16-12/h1-6H,7H2
InChIKeyIFXZNEGSOUWJIY-UHFFFAOYSA-N
MW392.14 g/mol
LogP5.25
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone

2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone (PubChem CID 43654841) has the molecular formula C12H8Br2OS2 and a molecular weight of 392.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
PubChem CID43654841
Molecular FormulaC12H8Br2OS2
Molecular Weight392.14 g/mol
Exact Mass389.84
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
SMILESO=C(CSc1ccccc1Br)c1sccc1Br
InChIInChI=1S/C12H8Br2OS2/c13-8-3-1-2-4-11(8)17-7-10(15)12-9(14)5-6-16-12/h1-6H,7H2
InChIKeyIFXZNEGSOUWJIY-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.14
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethanone
CID 43654827
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1-(3-bromothiophen-2-yl)-2-butan-2-ylsulfanylethanone
CID 43654797
1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
CID 66144425
2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 43231185
1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone
CID 63381009
1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone
CID 103458210
1-(3-bromothiophen-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55241250
2-(2-bromophenyl)sulfanyl-1-(1-methylpyrrol-2-yl)ethanone
CID 43231205
1-(2-bromophenyl)sulfanylundecan-2-one
CID 66143454
2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
CID 66144047
1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone
CID 55753805

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone (CID 43654841) is 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone is O=C(CSc1ccccc1Br)c1sccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone?
The InChIKey is IFXZNEGSOUWJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2OS2/c13-8-3-1-2-4-11(8)17-7-10(15)12-9(14)5-6-16-12/h1-6H,7H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone?
2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone has a molecular weight of 392.14 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 43654841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).