(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione

C8H5NS4 — CID 125477531

IUPAC(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione
SMILESS=C1NC(=S)/C(=C/c2cccs2)S1
InChIInChI=1S/C8H5NS4/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
InChIKeyBPUBJAIGSOLZDQ-XQRVVYSFSA-N
MW243.40 g/mol
LogP3.04
Rot. Bonds1

About (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione

(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione (PubChem CID 125477531) has the molecular formula C8H5NS4 and a molecular weight of 243.40 g/mol. Its IUPAC name is (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione.

Molecular Properties

Compound Name(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione
PubChem CID125477531
Molecular FormulaC8H5NS4
Molecular Weight243.40 g/mol
Exact Mass242.93
IUPAC Name(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione
SMILESS=C1NC(=S)/C(=C/c2cccs2)S1
InChIInChI=1S/C8H5NS4/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
InChIKeyBPUBJAIGSOLZDQ-XQRVVYSFSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 45052909
2-(4-fluorophenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452292
5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione
CID 23740115
3-benzyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1237848
(5Z)-3-(4-bromophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1241466
2-(thiophen-2-ylmethylidene)-1-benzothiophen-3-one
CID 692138
(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine
CID 177420875
(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135870759
4-(thiophen-2-ylmethylidene)piperidine
CID 79880613
2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene
CID 139178721
5-[(4-phenylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 47298359
(5Z)-5-(1-benzothiophen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19374987

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione?
The IUPAC name of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione (CID 125477531) is (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione.
What is the SMILES notation for (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione?
The canonical SMILES for (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione is S=C1NC(=S)/C(=C/c2cccs2)S1.
What is the InChIKey of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione?
The InChIKey is BPUBJAIGSOLZDQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H5NS4/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-.
What are the key properties of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione?
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione has a molecular weight of 243.40 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione is sourced from PubChem (CID 125477531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).