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

C10H6Br2O2S — CID 114973321

IUPAC(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2occc2Br)sc1Br
InChIInChI=1S/C10H6Br2O2S/c1-5-4-7(15-10(5)12)8(13)9-6(11)2-3-14-9/h2-4H,1H3
InChIKeyARLCMYDMTRWEFG-UHFFFAOYSA-N
MW350.03 g/mol
LogP4.41
Rot. Bonds2

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

(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone (PubChem CID 114973321) has the molecular formula C10H6Br2O2S and a molecular weight of 350.03 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
PubChem CID114973321
Molecular FormulaC10H6Br2O2S
Molecular Weight350.03 g/mol
Exact Mass347.85
IUPAC Name(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2occc2Br)sc1Br
InChIInChI=1S/C10H6Br2O2S/c1-5-4-7(15-10(5)12)8(13)9-6(11)2-3-14-9/h2-4H,1H3
InChIKeyARLCMYDMTRWEFG-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

(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 79997136
(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79982159
(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103407673
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 105101644
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105101678
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114973441

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone (CID 114973321) is (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2occc2Br)sc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The InChIKey is ARLCMYDMTRWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O2S/c1-5-4-7(15-10(5)12)8(13)9-6(11)2-3-14-9/h2-4H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
(3-bromofuran-2-yl)-(5-bromo-4-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 (3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 114973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).