(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone

C12H10Br2O2S — CID 80532415

IUPAC(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cc(Br)c(Br)s2)c1C
InChIInChI=1S/C12H10Br2O2S/c1-5-6(2)16-7(3)10(5)11(15)9-4-8(13)12(14)17-9/h4H,1-3H3
InChIKeyAPDQIRMSGXNUHA-UHFFFAOYSA-N
MW378.09 g/mol
LogP5.02
Rot. Bonds2

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

(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 80532415) has the molecular formula C12H10Br2O2S and a molecular weight of 378.09 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID80532415
Molecular FormulaC12H10Br2O2S
Molecular Weight378.09 g/mol
Exact Mass375.88
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cc(Br)c(Br)s2)c1C
InChIInChI=1S/C12H10Br2O2S/c1-5-6(2)16-7(3)10(5)11(15)9-4-8(13)12(14)17-9/h4H,1-3H3
InChIKeyAPDQIRMSGXNUHA-UHFFFAOYSA-N
XLogP5.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.09
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 80532415) is (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2cc(Br)c(Br)s2)c1C.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is APDQIRMSGXNUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2S/c1-5-6(2)16-7(3)10(5)11(15)9-4-8(13)12(14)17-9/h4H,1-3H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 378.09 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 80532415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).