(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone

C10H5Br3OS2 — CID 107960074

IUPAC(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCc1sc(Br)cc1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H5Br3OS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3H,1H3
InChIKeyUIMGPSZBXHTIQT-UHFFFAOYSA-N
MW445.00 g/mol
LogP5.64
Rot. Bonds2

About (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone

(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 107960074) has the molecular formula C10H5Br3OS2 and a molecular weight of 445.00 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID107960074
Molecular FormulaC10H5Br3OS2
Molecular Weight445.00 g/mol
Exact Mass441.73
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCc1sc(Br)cc1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H5Br3OS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3H,1H3
InChIKeyUIMGPSZBXHTIQT-UHFFFAOYSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.00
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
CID 107979661
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone
CID 107981713
(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 114021061
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 103298331
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one
CID 43167377
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone (CID 107960074) is (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone is Cc1sc(Br)cc1C(=O)c1cc(Br)sc1Br.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is UIMGPSZBXHTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br3OS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3H,1H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone?
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 445.00 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 107960074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).