(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone

C10H6Br2O2S — CID 130770138

IUPAC(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
SMILESCc1sc(C(=O)c2coc(Br)c2)cc1Br
InChIInChI=1S/C10H6Br2O2S/c1-5-7(11)3-8(15-5)10(13)6-2-9(12)14-4-6/h2-4H,1H3
InChIKeyIHGCAQAALBOTGC-UHFFFAOYSA-N
MW350.03 g/mol
LogP4.41
Rot. Bonds2

About (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone

(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone (PubChem CID 130770138) has the molecular formula C10H6Br2O2S and a molecular weight of 350.03 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
PubChem CID130770138
Molecular FormulaC10H6Br2O2S
Molecular Weight350.03 g/mol
Exact Mass347.85
IUPAC Name(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
SMILESCc1sc(C(=O)c2coc(Br)c2)cc1Br
InChIInChI=1S/C10H6Br2O2S/c1-5-7(11)3-8(15-5)10(13)6-2-9(12)14-4-6/h2-4H,1H3
InChIKeyIHGCAQAALBOTGC-UHFFFAOYSA-N
XLogP4.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
CID 102826512
(4-bromo-5-methylthiophen-2-yl)-(3-iodophenyl)methanone
CID 102826651
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
CID 130576016
(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
CID 102826534
(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102826505
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
2-(4-bromo-5-methylthiophene-2-carbonyl)-4,5-difluorobenzoic acid
CID 102826968
5-bromofuran-3-carboxamide
CID 10821494

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone?
The IUPAC name of (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone (CID 130770138) is (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone is Cc1sc(C(=O)c2coc(Br)c2)cc1Br.
What is the InChIKey of (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone?
The InChIKey is IHGCAQAALBOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O2S/c1-5-7(11)3-8(15-5)10(13)6-2-9(12)14-4-6/h2-4H,1H3.
What are the key properties of (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone?
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone has a molecular weight of 350.03 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 130770138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).