(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone

C9H4Br2O2S — CID 43463819

IUPAC(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)c1cc(Br)sc1Br
InChIInChI=1S/C9H4Br2O2S/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h1-4H
InChIKeyUFCZOLQQSYRXGM-UHFFFAOYSA-N
MW336.00 g/mol
LogP4.10
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone

(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone (PubChem CID 43463819) has the molecular formula C9H4Br2O2S and a molecular weight of 336.00 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone
PubChem CID43463819
Molecular FormulaC9H4Br2O2S
Molecular Weight336.00 g/mol
Exact Mass333.83
IUPAC Name(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)c1cc(Br)sc1Br
InChIInChI=1S/C9H4Br2O2S/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h1-4H
InChIKeyUFCZOLQQSYRXGM-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
furan-3-yl-(2-methylfuran-3-yl)methanone
CID 104789242
(4-bromo-3-chlorophenyl)-(furan-3-yl)methanone
CID 114971763
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
(4-cyclobutylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967818
(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
CID 43344972
(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908
(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone
CID 105099114
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanone
CID 107967814

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone (CID 43463819) is (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone is O=C(c1ccoc1)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone?
The InChIKey is UFCZOLQQSYRXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2O2S/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h1-4H.
What are the key properties of (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone?
(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone has a molecular weight of 336.00 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 43463819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).