(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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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).