(E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one

C11H8O2S — CID 5338978

IUPAC(E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1cccs1
InChIInChI=1S/C11H8O2S/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
InChIKeyVSMJEICCLQDYQR-AATRIKPKSA-N
MW204.25 g/mol
LogP3.24
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one

(E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 5338978) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID5338978
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name(E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1cccs1
InChIInChI=1S/C11H8O2S/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
InChIKeyVSMJEICCLQDYQR-AATRIKPKSA-N
XLogP3.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Furfuryl isopropyl sulfide
CID 61282
2,2'-(Dithiodimethylene)difuran
CID 20499
Furfuryl thioacetate
CID 61660
Bis(2-methyl-3-furyl)disulfide
CID 526624
Difurfuryl sulfide
CID 61659
2-((Ethylthio)methyl)furan
CID 519751
2-Methyl-3-(methylthio)furan
CID 526618
3-[(2-Methyl-3-furyl)thio]-4-heptanone
CID 43598
Furfuryl thiopropionate
CID 62143
Furfuryl mercaptan formate
CID 62144
2,5-Dimethyl-3-thioacetoxyfuran
CID 108764
3-(Acetylthio)-2-methylfuran
CID 108765

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one (CID 5338978) is (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccco1)c1cccs1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is VSMJEICCLQDYQR-AATRIKPKSA-N. The full InChI is InChI=1S/C11H8O2S/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 204.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5338978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).