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

C14H10OS3 — CID 2799506

IUPAC2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one
SMILESO=C1C(=Cc2cccs2)CSC1=Cc1cccs1
InChIInChI=1S/C14H10OS3/c15-14-10(7-11-3-1-5-16-11)9-18-13(14)8-12-4-2-6-17-12/h1-8H,9H2
InChIKeyVJPAJBJHTBITGS-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.55
Rot. Bonds2

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

2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one (PubChem CID 2799506) has the molecular formula C14H10OS3 and a molecular weight of 290.43 g/mol. Its IUPAC name is 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one.

Molecular Properties

Compound Name2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one
PubChem CID2799506
Molecular FormulaC14H10OS3
Molecular Weight290.43 g/mol
Exact Mass289.99
IUPAC Name2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one
SMILESO=C1C(=Cc2cccs2)CSC1=Cc1cccs1
InChIInChI=1S/C14H10OS3/c15-14-10(7-11-3-1-5-16-11)9-18-13(14)8-12-4-2-6-17-12/h1-8H,9H2
InChIKeyVJPAJBJHTBITGS-UHFFFAOYSA-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 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one?
The IUPAC name of 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one (CID 2799506) is 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one.
What is the SMILES notation for 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one?
The canonical SMILES for 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one is O=C1C(=Cc2cccs2)CSC1=Cc1cccs1.
What is the InChIKey of 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one?
The InChIKey is VJPAJBJHTBITGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS3/c15-14-10(7-11-3-1-5-16-11)9-18-13(14)8-12-4-2-6-17-12/h1-8H,9H2.
What are the key properties of 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one?
2,4-bis(thiophen-2-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 2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one is sourced from PubChem (CID 2799506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).