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

C10H6Br2OS2 — CID 164654006

IUPAC1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccsc1Br
InChIInChI=1S/C10H6Br2OS2/c11-7-2-4-14-9(7)5-8(13)6-1-3-15-10(6)12/h1-4H,5H2
InChIKeyOATWUTZRRFWNKB-UHFFFAOYSA-N
MW366.10 g/mol
LogP4.76
Rot. Bonds3

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

1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone (PubChem CID 164654006) has the molecular formula C10H6Br2OS2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
PubChem CID164654006
Molecular FormulaC10H6Br2OS2
Molecular Weight366.10 g/mol
Exact Mass363.82
IUPAC Name1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccsc1Br
InChIInChI=1S/C10H6Br2OS2/c11-7-2-4-14-9(7)5-8(13)6-1-3-15-10(6)12/h1-4H,5H2
InChIKeyOATWUTZRRFWNKB-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742
2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969747
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)ethanone
CID 114969828
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 114969743
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
1-(3-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 82808650

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone (CID 164654006) is 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone is O=C(Cc1sccc1Br)c1ccsc1Br.
What is the InChIKey of 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone?
The InChIKey is OATWUTZRRFWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2OS2/c11-7-2-4-14-9(7)5-8(13)6-1-3-15-10(6)12/h1-4H,5H2.
What are the key properties of 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone?
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone has a molecular weight of 366.10 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 164654006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).