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

C8H4BrNOS3 — CID 56949898

IUPAC(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1sccc1Br
InChIInChI=1S/C8H4BrNOS3/c9-4-1-2-13-5(4)3-6-7(11)10-8(12)14-6/h1-3H,(H,10,11,12)/b6-3-
InChIKeyDVMDNPAHZMYXQA-UTCJRWHESA-N
MW306.23 g/mol
LogP3.00
Rot. Bonds1

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

(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 56949898) has the molecular formula C8H4BrNOS3 and a molecular weight of 306.23 g/mol. Its IUPAC name is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID56949898
Molecular FormulaC8H4BrNOS3
Molecular Weight306.23 g/mol
Exact Mass304.86
IUPAC Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1sccc1Br
InChIInChI=1S/C8H4BrNOS3/c9-4-1-2-13-5(4)3-6-7(11)10-8(12)14-6/h1-3H,(H,10,11,12)/b6-3-
InChIKeyDVMDNPAHZMYXQA-UTCJRWHESA-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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Related Compounds

(5Z)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241133
5-(2-Thienylmethylene)rhodanine
CID 2796945
(5E)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241132
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1421105
(5Z)-5-[(5-bromo-2-thienyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CID 1202332
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5776681
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 8271435
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 9881274
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 56949754
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56949899
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 56949902
2,4-Thiazolidinedione, 5-(2-thienylmethylene)-, (Z)-
CID 3641693

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 56949898) is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1sccc1Br.
What is the InChIKey of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is DVMDNPAHZMYXQA-UTCJRWHESA-N. The full InChI is InChI=1S/C8H4BrNOS3/c9-4-1-2-13-5(4)3-6-7(11)10-8(12)14-6/h1-3H,(H,10,11,12)/b6-3-.
What are the key properties of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(3-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-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 56949898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).