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

C10H5Cl2NOS2 — CID 42630959

IUPAC(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C10H5Cl2NOS2/c11-6-2-1-5(3-7(6)12)4-8-9(15)13-10(14)16-8/h1-4H,(H,13,14,15)/b8-4-
InChIKeyWWOUGKDZLWPNPP-YWEYNIOJSA-N
MW290.20 g/mol
LogP4.12
Rot. Bonds1

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

(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 42630959) has the molecular formula C10H5Cl2NOS2 and a molecular weight of 290.20 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID42630959
Molecular FormulaC10H5Cl2NOS2
Molecular Weight290.20 g/mol
Exact Mass288.92
IUPAC Name(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C10H5Cl2NOS2/c11-6-2-1-5(3-7(6)12)4-8-9(15)13-10(14)16-8/h1-4H,(H,13,14,15)/b8-4-
InChIKeyWWOUGKDZLWPNPP-YWEYNIOJSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 42630959) is (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1NC(=S)/C(=C/c2ccc(Cl)c(Cl)c2)S1.
What is the InChIKey of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is WWOUGKDZLWPNPP-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H5Cl2NOS2/c11-6-2-1-5(3-7(6)12)4-8-9(15)13-10(14)16-8/h1-4H,(H,13,14,15)/b8-4-.
What are the key properties of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 290.20 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 42630959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).