(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C8H4BrNOS3 — CID 1202332

IUPAC(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(Br)s1
InChIInChI=1S/C8H4BrNOS3/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3-
InChIKeyFXJZQFCLIBCBAT-HYXAFXHYSA-N
MW306.23 g/mol
LogP3.00
Rot. Bonds1

About (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1202332) has the molecular formula C8H4BrNOS3 and a molecular weight of 306.23 g/mol. Its IUPAC name is (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1202332
Molecular FormulaC8H4BrNOS3
Molecular Weight306.23 g/mol
Exact Mass304.86
IUPAC Name(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(Br)s1
InChIInChI=1S/C8H4BrNOS3/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3-
InChIKeyFXJZQFCLIBCBAT-HYXAFXHYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.00
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 (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1202332) is (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc(Br)s1.
What is the InChIKey of (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FXJZQFCLIBCBAT-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H4BrNOS3/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3-.
What are the key properties of (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 306.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1202332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).