(5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C13H12ClNOS3 — CID 91651431

IUPAC(5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)Sc1cccc(Cl)c1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C13H12ClNOS3/c1-7(2)18-10-5-3-4-9(14)8(10)6-11-12(16)15-13(17)19-11/h3-7H,1-2H3,(H,15,16,17)/b11-6-
InChIKeyQVPSKSNOWYSOAC-WDZFZDKYSA-N
MW329.90 g/mol
LogP4.33
Rot. Bonds3

About (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 91651431) has the molecular formula C13H12ClNOS3 and a molecular weight of 329.90 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID91651431
Molecular FormulaC13H12ClNOS3
Molecular Weight329.90 g/mol
Exact Mass328.98
IUPAC Name(5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)Sc1cccc(Cl)c1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C13H12ClNOS3/c1-7(2)18-10-5-3-4-9(14)8(10)6-11-12(16)15-13(17)19-11/h3-7H,1-2H3,(H,15,16,17)/b11-6-
InChIKeyQVPSKSNOWYSOAC-WDZFZDKYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.90
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139661577
(5E)-5-[(3-chloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122580024
5-[(2,6-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4131394
2-[3-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 122579902
(5Z)-5-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6250922
(5E)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1238544
(5E)-5-[[6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54603528
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
5-[(8-chloro-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4896042
(5Z)-5-[(2,5-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6243032
5-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4588144
(5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2302246

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 91651431) is (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CC(C)Sc1cccc(Cl)c1/C=C1\SC(=S)NC1=O.
What is the InChIKey of (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QVPSKSNOWYSOAC-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H12ClNOS3/c1-7(2)18-10-5-3-4-9(14)8(10)6-11-12(16)15-13(17)19-11/h3-7H,1-2H3,(H,15,16,17)/b11-6-.
What are the key properties of (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 329.90 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-propan-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 91651431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).