(5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one

C9H5BrO2S — CID 24825946

IUPAC(5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1C=C(Br)/C(=C/c2cccs2)O1
InChIInChI=1S/C9H5BrO2S/c10-7-5-9(11)12-8(7)4-6-2-1-3-13-6/h1-5H/b8-4-
InChIKeyCEVABWHVBDRBOR-YWEYNIOJSA-N
MW257.11 g/mol
LogP2.92
Rot. Bonds1

About (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one

(5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one (PubChem CID 24825946) has the molecular formula C9H5BrO2S and a molecular weight of 257.11 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one
PubChem CID24825946
Molecular FormulaC9H5BrO2S
Molecular Weight257.11 g/mol
Exact Mass255.92
IUPAC Name(5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1C=C(Br)/C(=C/c2cccs2)O1
InChIInChI=1S/C9H5BrO2S/c10-7-5-9(11)12-8(7)4-6-2-1-3-13-6/h1-5H/b8-4-
InChIKeyCEVABWHVBDRBOR-YWEYNIOJSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one?
The IUPAC name of (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one (CID 24825946) is (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one is O=C1C=C(Br)/C(=C/c2cccs2)O1.
What is the InChIKey of (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one?
The InChIKey is CEVABWHVBDRBOR-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H5BrO2S/c10-7-5-9(11)12-8(7)4-6-2-1-3-13-6/h1-5H/b8-4-.
What are the key properties of (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one?
(5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one has a molecular weight of 257.11 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(thiophen-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 24825946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).