5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C11H7NOS3 — CID 142769344

IUPAC5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=C1CSc2ccccc21
InChIInChI=1S/C11H7NOS3/c13-10-9(16-11(14)12-10)7-5-15-8-4-2-1-3-6(7)8/h1-4H,5H2,(H,12,13,14)
InChIKeyBMWGPTBEAMMPCV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.65
Rot. Bonds

About 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 142769344) has the molecular formula C11H7NOS3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID142769344
Molecular FormulaC11H7NOS3
Molecular Weight265.38 g/mol
Exact Mass264.97
IUPAC Name5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=C1CSc2ccccc21
InChIInChI=1S/C11H7NOS3/c13-10-9(16-11(14)12-10)7-5-15-8-4-2-1-3-6(7)8/h1-4H,5H2,(H,12,13,14)
InChIKeyBMWGPTBEAMMPCV-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 142769344) is 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1=C1CSc2ccccc21.
What is the InChIKey of 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is BMWGPTBEAMMPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS3/c13-10-9(16-11(14)12-10)7-5-15-8-4-2-1-3-6(7)8/h1-4H,5H2,(H,12,13,14).
What are the key properties of 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 142769344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).