1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone

C10H6Br2OS2 — CID 107962768

IUPAC1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1cc(Br)sc1Br
InChIInChI=1S/C10H6Br2OS2/c11-9-5-7(10(12)15-9)8(13)4-6-2-1-3-14-6/h1-3,5H,4H2
InChIKeyWMYGUWQFHGNWKP-UHFFFAOYSA-N
MW366.10 g/mol
LogP4.76
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone

1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone (PubChem CID 107962768) has the molecular formula C10H6Br2OS2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
PubChem CID107962768
Molecular FormulaC10H6Br2OS2
Molecular Weight366.10 g/mol
Exact Mass363.82
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1cc(Br)sc1Br
InChIInChI=1S/C10H6Br2OS2/c11-9-5-7(10(12)15-9)8(13)4-6-2-1-3-14-6/h1-3,5H,4H2
InChIKeyWMYGUWQFHGNWKP-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-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501
1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone
CID 61055078
1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056475
1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
CID 131207475
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008833
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293
1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967691
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone (CID 107962768) is 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is WMYGUWQFHGNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2OS2/c11-9-5-7(10(12)15-9)8(13)4-6-2-1-3-14-6/h1-3,5H,4H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone?
1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone 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-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 107962768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).