(5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one

C12H6O3S — CID 50901765

IUPAC(5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one
SMILESO=C1C=C/C(=C2/Sc3ccccc3C2=O)O1
InChIInChI=1S/C12H6O3S/c13-10-6-5-8(15-10)12-11(14)7-3-1-2-4-9(7)16-12/h1-6H/b12-8-
InChIKeyYDBQCRQVQGCJIT-WQLSENKSSA-N
MW230.24 g/mol
LogP2.30
Rot. Bonds

About (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one

(5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one (PubChem CID 50901765) has the molecular formula C12H6O3S and a molecular weight of 230.24 g/mol. Its IUPAC name is (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one
PubChem CID50901765
Molecular FormulaC12H6O3S
Molecular Weight230.24 g/mol
Exact Mass230.00
IUPAC Name(5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one
SMILESO=C1C=C/C(=C2/Sc3ccccc3C2=O)O1
InChIInChI=1S/C12H6O3S/c13-10-6-5-8(15-10)12-11(14)7-3-1-2-4-9(7)16-12/h1-6H/b12-8-
InChIKeyYDBQCRQVQGCJIT-WQLSENKSSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-(3-oxo-1-benzothiophen-2-ylidene)-2-benzothiophen-1-one
CID 102187193
ethane;2-methylidene-1-benzothiophen-3-one
CID 91303028
(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one
CID 56957647
(2Z)-4,7-dimethyl-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
CID 3034868
1,1-dimethyl-3-phenylurea;(2Z)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
CID 67416369
(2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one
CID 661921
(2Z)-1,1-diethoxy-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
CID 139913803
2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione
CID 87580567
benzo[b][1]benzothiocine-10,12-dione
CID 13450297
(2Z)-2-[(4-methylphenyl)methylidene]-1-benzothiophen-3-one
CID 6509072
(2Z)-2-(1-phenylethylidene)-1-benzothiophen-3-one
CID 10682252
(2Z)-2-(pyridin-2-ylmethylidene)-1-benzothiophen-3-one
CID 155262579

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one?
The IUPAC name of (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one (CID 50901765) is (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one.
What is the SMILES notation for (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one?
The canonical SMILES for (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one is O=C1C=C/C(=C2/Sc3ccccc3C2=O)O1.
What is the InChIKey of (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one?
The InChIKey is YDBQCRQVQGCJIT-WQLSENKSSA-N. The full InChI is InChI=1S/C12H6O3S/c13-10-6-5-8(15-10)12-11(14)7-3-1-2-4-9(7)16-12/h1-6H/b12-8-.
What are the key properties of (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one?
(5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one has a molecular weight of 230.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one is sourced from PubChem (CID 50901765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).