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

C10H4Cl3NOS2 — CID 42630846

IUPAC(5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2cc(Cl)cc(Cl)c2Cl)S1
InChIInChI=1S/C10H4Cl3NOS2/c11-5-1-4(8(13)6(12)3-5)2-7-9(16)14-10(15)17-7/h1-3H,(H,14,15,16)/b7-2-
InChIKeyLYEMMPWMYSZZDD-UQCOIBPSSA-N
MW324.64 g/mol
LogP4.77
Rot. Bonds1

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

(5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one (PubChem CID 42630846) has the molecular formula C10H4Cl3NOS2 and a molecular weight of 324.64 g/mol. Its IUPAC name is (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one
PubChem CID42630846
Molecular FormulaC10H4Cl3NOS2
Molecular Weight324.64 g/mol
Exact Mass322.88
IUPAC Name(5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2cc(Cl)cc(Cl)c2Cl)S1
InChIInChI=1S/C10H4Cl3NOS2/c11-5-1-4(8(13)6(12)3-5)2-7-9(16)14-10(15)17-7/h1-3H,(H,14,15,16)/b7-2-
InChIKeyLYEMMPWMYSZZDD-UQCOIBPSSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.64
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one (CID 42630846) is (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one is O=C1NC(=S)/C(=C/c2cc(Cl)cc(Cl)c2Cl)S1.
What is the InChIKey of (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one?
The InChIKey is LYEMMPWMYSZZDD-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H4Cl3NOS2/c11-5-1-4(8(13)6(12)3-5)2-7-9(16)14-10(15)17-7/h1-3H,(H,14,15,16)/b7-2-.
What are the key properties of (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one?
(5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one has a molecular weight of 324.64 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 42630846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).