(2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one

C14H10OS3 — CID 6002448

IUPAC(2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one
SMILESO=C1/C(=C/c2ccsc2)CS/C1=C\c1ccsc1
InChIInChI=1S/C14H10OS3/c15-14-12(5-10-1-3-16-7-10)9-18-13(14)6-11-2-4-17-8-11/h1-8H,9H2/b12-5+,13-6-
InChIKeyIICDGTDGBIROMG-GFZODGFISA-N
MW290.43 g/mol
LogP4.55
Rot. Bonds2

About (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one

(2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one (PubChem CID 6002448) has the molecular formula C14H10OS3 and a molecular weight of 290.43 g/mol. Its IUPAC name is (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one.

Molecular Properties

Compound Name(2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one
PubChem CID6002448
Molecular FormulaC14H10OS3
Molecular Weight290.43 g/mol
Exact Mass289.99
IUPAC Name(2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one
SMILESO=C1/C(=C/c2ccsc2)CS/C1=C\c1ccsc1
InChIInChI=1S/C14H10OS3/c15-14-12(5-10-1-3-16-7-10)9-18-13(14)6-11-2-4-17-8-11/h1-8H,9H2/b12-5+,13-6-
InChIKeyIICDGTDGBIROMG-GFZODGFISA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one?
The IUPAC name of (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one (CID 6002448) is (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one.
What is the SMILES notation for (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one?
The canonical SMILES for (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one is O=C1/C(=C/c2ccsc2)CS/C1=C\c1ccsc1.
What is the InChIKey of (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one?
The InChIKey is IICDGTDGBIROMG-GFZODGFISA-N. The full InChI is InChI=1S/C14H10OS3/c15-14-12(5-10-1-3-16-7-10)9-18-13(14)6-11-2-4-17-8-11/h1-8H,9H2/b12-5+,13-6-.
What are the key properties of (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one?
(2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one has a molecular weight of 290.43 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2,4-bis(thiophen-3-ylmethylidene)thiolan-3-one is sourced from PubChem (CID 6002448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).