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

C10H6ClNOS2 — CID 1385866

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2ccccc2Cl)S1
InChIInChI=1S/C10H6ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(14)12-10(13)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKeyBTOPTHJGPJTBAT-YVMONPNESA-N
MW255.75 g/mol
LogP3.46
Rot. Bonds1

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

(5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 1385866) has the molecular formula C10H6ClNOS2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID1385866
Molecular FormulaC10H6ClNOS2
Molecular Weight255.75 g/mol
Exact Mass254.96
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2ccccc2Cl)S1
InChIInChI=1S/C10H6ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(14)12-10(13)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKeyBTOPTHJGPJTBAT-YVMONPNESA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.46
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-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 1385866) is (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1NC(=S)/C(=C/c2ccccc2Cl)S1.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is BTOPTHJGPJTBAT-YVMONPNESA-N. The full InChI is InChI=1S/C10H6ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(14)12-10(13)15-8/h1-5H,(H,12,13,14)/b8-5-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
(5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 255.75 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 1385866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).