2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone

C12H8Br2OS2 — CID 43412629

IUPAC2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(CSc1ccc(Br)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H8Br2OS2/c13-8-1-3-9(4-2-8)16-7-10(15)11-5-6-12(14)17-11/h1-6H,7H2
InChIKeyBUBMMYBMSCPCNQ-UHFFFAOYSA-N
MW392.14 g/mol
LogP5.25
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone

2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone (PubChem CID 43412629) has the molecular formula C12H8Br2OS2 and a molecular weight of 392.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone
PubChem CID43412629
Molecular FormulaC12H8Br2OS2
Molecular Weight392.14 g/mol
Exact Mass389.84
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(CSc1ccc(Br)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H8Br2OS2/c13-8-1-3-9(4-2-8)16-7-10(15)11-5-6-12(14)17-11/h1-6H,7H2
InChIKeyBUBMMYBMSCPCNQ-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-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224922
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801859
1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60971828
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291001
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
1-(5-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82119052
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
4-[2-(4-bromophenyl)sulfanylacetyl]benzonitrile
CID 2341546
1-(5-bromothiophen-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 9407874

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone (CID 43412629) is 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone is O=C(CSc1ccc(Br)cc1)c1ccc(Br)s1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone?
The InChIKey is BUBMMYBMSCPCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2OS2/c13-8-1-3-9(4-2-8)16-7-10(15)11-5-6-12(14)17-11/h1-6H,7H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone?
2-(4-bromophenyl)sulfanyl-1-(5-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-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 43412629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).