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

C10H10ClNOS2 — CID 134109662

IUPAC(5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\C1=C(Cl)CCCC1
InChIInChI=1S/C10H10ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h5H,1-4H2,(H,12,13,14)/b8-5-
InChIKeyNHIXTOBZKCGJPR-YVMONPNESA-N
MW259.78 g/mol
LogP3.09
Rot. Bonds1

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

(5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 134109662) has the molecular formula C10H10ClNOS2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID134109662
Molecular FormulaC10H10ClNOS2
Molecular Weight259.78 g/mol
Exact Mass258.99
IUPAC Name(5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\C1=C(Cl)CCCC1
InChIInChI=1S/C10H10ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h5H,1-4H2,(H,12,13,14)/b8-5-
InChIKeyNHIXTOBZKCGJPR-YVMONPNESA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1271002
(5Z)-5-[(2,5-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6243032
(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7326611
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
CID 59102002
CID 59102002
4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
CID 6993416
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1207359
(5E)-5-[(4-chloro-1-methylpyrazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19618232
(5Z)-5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2271003
(5E)-5-[(3-chloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122580024
5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2902036
(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1342290

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 134109662) is (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\C1=C(Cl)CCCC1.
What is the InChIKey of (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is NHIXTOBZKCGJPR-YVMONPNESA-N. The full InChI is InChI=1S/C10H10ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h5H,1-4H2,(H,12,13,14)/b8-5-.
What are the key properties of (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 259.78 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 134109662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).