(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone

C13H13BrO2S — CID 79997136

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2c(C)oc(C)c2C)sc1Br
InChIInChI=1S/C13H13BrO2S/c1-6-5-10(17-13(6)14)12(15)11-7(2)8(3)16-9(11)4/h5H,1-4H3
InChIKeyBLEQYNZINRQZDD-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.57
Rot. Bonds2

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

(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 79997136) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID79997136
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2c(C)oc(C)c2C)sc1Br
InChIInChI=1S/C13H13BrO2S/c1-6-5-10(17-13(6)14)12(15)11-7(2)8(3)16-9(11)4/h5H,1-4H3
InChIKeyBLEQYNZINRQZDD-UHFFFAOYSA-N
XLogP4.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80532415
(5-bromo-4-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80531550
(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 114973321
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
(2-amino-6-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 81414808
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65438948

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 79997136) is (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1cc(C(=O)c2c(C)oc(C)c2C)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is BLEQYNZINRQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-6-5-10(17-13(6)14)12(15)11-7(2)8(3)16-9(11)4/h5H,1-4H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 313.22 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 79997136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).