CAS 536-17-4|5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one|5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one|P-DIMETHYLAMINOBENZALRHODAN...

General Information

Structure

Molecular Formula

C₁₂H₁₂N₂OS₂

Molecular Mass

264.36648

Exact Mass

264.03910501

Charge

InChI

InChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)

InChIKey

JJRVRELEASDUMY-UHFFFAOYSA-N

Canonic Smiles

CN(c1ccc(cc1)/C=C\1/SC(=S)NC1=O)C

Isomeric Smiles

CN(C)c1ccc(cc1)/C=C\1/SC(=S)NC1=O

Calculated Properties

JChem

Acid pKa

7.483518

H Acceptors

H Donor

LogD (pH = 5.5)

2.796961

LogD (pH = 7.4)

2.589827

Log P

2.8478725

Molar Refractivity

78.6405

Polarizability

29.373549

Polar Surface Area

32.34

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

Synonyms

P-DIMETHYLAMINOBENZALRHODANINE5-(4-二甲氨基亚苄基)罗丹宁5-(4-Dimethylaminobenzylidene)rhodaninep-Dimethylaminobenzylidenerhodanine5-(4-Dimethylaminobenzylidene)rhodanine

Names and Identifiers

Registration numbers

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem CID

PubChem SID

162096182248471842486435324864352

Registration numbers

Properties

Safety Information

MSDS Link

Download link

German water hazard class

Safety Statements

22-24/25

RTECS

VI8090000

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Physical Property

Melting Point

285-288 °C(lit.)

Absorption Wavelength

λmax 451 nm

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05215929

MP Biomedicals Rare Chemical collection

Sigma Aldrich

114588

Packaging
10, 25 g in glass bottle

39090

Application
for the detection of Ag, Au, Cu, Hg, Pd, Pt, alkaloids, antipyrin, indican, sulfonamide, urobilinogen
Other Notes
Reagent for the determination of silver, palladium and mercury 1,2; Determination of gold3; Used in the photometric determination of autoradiograms4

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

Synonyms

P-DIMETHYLAMINOBENZALRHODANINE5-(4-二甲氨基亚苄基)罗丹宁5-(4-Dimethylaminobenzylidene)rhodaninep-Dimethylaminobenzylidenerhodanine5-(4-Dimethylaminobenzylidene)rhodanine

Registration numbers

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem CID

PubChem SID