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

C10H7BrO2S — CID 102826466

IUPAC(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
SMILESCc1sc(C(=O)c2ccoc2)cc1Br
InChIInChI=1S/C10H7BrO2S/c1-6-8(11)4-9(14-6)10(12)7-2-3-13-5-7/h2-5H,1H3
InChIKeyGGCBJCFFCUUMEJ-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.64
Rot. Bonds2

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

(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone (PubChem CID 102826466) has the molecular formula C10H7BrO2S and a molecular weight of 271.13 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
PubChem CID102826466
Molecular FormulaC10H7BrO2S
Molecular Weight271.13 g/mol
Exact Mass269.94
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
SMILESCc1sc(C(=O)c2ccoc2)cc1Br
InChIInChI=1S/C10H7BrO2S/c1-6-8(11)4-9(14-6)10(12)7-2-3-13-5-7/h2-5H,1H3
InChIKeyGGCBJCFFCUUMEJ-UHFFFAOYSA-N
XLogP3.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone (CID 102826466) is (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone is Cc1sc(C(=O)c2ccoc2)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone?
The InChIKey is GGCBJCFFCUUMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S/c1-6-8(11)4-9(14-6)10(12)7-2-3-13-5-7/h2-5H,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone?
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone has a molecular weight of 271.13 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 102826466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).