(5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone

C9H4Br2O2S — CID 115784104

IUPAC(5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone
SMILESO=C(c1ccc(Br)o1)c1cscc1Br
InChIInChI=1S/C9H4Br2O2S/c10-6-4-14-3-5(6)9(12)7-1-2-8(11)13-7/h1-4H
InChIKeyYVMIKDMKCYLUQA-UHFFFAOYSA-N
MW336.00 g/mol
LogP4.10
Rot. Bonds2

About (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone

(5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone (PubChem CID 115784104) has the molecular formula C9H4Br2O2S and a molecular weight of 336.00 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone
PubChem CID115784104
Molecular FormulaC9H4Br2O2S
Molecular Weight336.00 g/mol
Exact Mass333.83
IUPAC Name(5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone
SMILESO=C(c1ccc(Br)o1)c1cscc1Br
InChIInChI=1S/C9H4Br2O2S/c10-6-4-14-3-5(6)9(12)7-1-2-8(11)13-7/h1-4H
InChIKeyYVMIKDMKCYLUQA-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

(5-bromofuran-2-yl)-(4-chlorophenyl)methanone
CID 43462859
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanone
CID 43462664
5-bromofuran-2-carboxylate
CID 4069229
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096201
(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860843
(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 115784139
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone
CID 106655795
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone (CID 115784104) is (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone is O=C(c1ccc(Br)o1)c1cscc1Br.
What is the InChIKey of (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is YVMIKDMKCYLUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2O2S/c10-6-4-14-3-5(6)9(12)7-1-2-8(11)13-7/h1-4H.
What are the key properties of (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone?
(5-bromofuran-2-yl)-(4-bromothiophen-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 (5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 115784104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).