[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate

C14H10O3S2 — CID 100994517

IUPAC[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)OC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H10O3S2/c15-13(7-5-11-3-1-9-18-11)17-14(16)8-6-12-4-2-10-19-12/h1-10H/b7-5+,8-6+
InChIKeyBQDFEZUUCRZSRA-KQQUZDAGSA-N
MW290.37 g/mol
LogP3.61
Rot. Bonds4

About [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate

[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 100994517) has the molecular formula C14H10O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID100994517
Molecular FormulaC14H10O3S2
Molecular Weight290.37 g/mol
Exact Mass290.01
IUPAC Name[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)OC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H10O3S2/c15-13(7-5-11-3-1-9-18-11)17-14(16)8-6-12-4-2-10-19-12/h1-10H/b7-5+,8-6+
InChIKeyBQDFEZUUCRZSRA-KQQUZDAGSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate with MolForge

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Related Compounds

(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
CID 59090948
CID 59090948
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119
(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
CID 19558925
(2-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 3428399
2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78788566
2-methylsulfanylethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78790183
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 8840192

Frequently Asked Questions

What is the IUPAC name of [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 100994517) is [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate is O=C(/C=C/c1cccs1)OC(=O)/C=C/c1cccs1.
What is the InChIKey of [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is BQDFEZUUCRZSRA-KQQUZDAGSA-N. The full InChI is InChI=1S/C14H10O3S2/c15-13(7-5-11-3-1-9-18-11)17-14(16)8-6-12-4-2-10-19-12/h1-10H/b7-5+,8-6+.
What are the key properties of [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate?
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 290.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 100994517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).