Thioflavine

Basic Info

FADB-China IDC0054
Substance NameBasic Yellow
Substance Chinese Name碱性黄
Molecular NameThioflavine
Molecular Chinese Name硫代黄素
2D StructureNo image
CAS Number2390-54-7
PubChem CID16953
FormulaC17H19ClN2S
IUPAC Name4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;chloride
InChI KeyJADVWWSKYZXRGX-UHFFFAOYSA-M
InChIInChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1
Canonical SMILES

CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-]

CFM-ID 3.0URL Link
Related linksCirculation
Addition PurposesImprove color
Molecular Synonyms
        
            Thioflavin T
        
            2390-54-7
        
            Basic yellow 1
        
            Setoflavine T
        
            Acronol Yellow T
        
            C.I. Basic Yellow 1
        
            Tannoflavine T
        
            Setoflavin T
        
            Thioflavine T
        
            2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride
Data UploaderMinQing Cai
Update DateJul 25, 2019 20:46

Properties

Property NameProperty Value
Molecular Weight318.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Complexity325
Monoisotopic Mass318.0957475
Exact Mass318.0957475
Formal Charge0
Heavy Atom Count21
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

Related Foods

FADB-China ID F0041
Food Image No Pictures
Food Name Yellow croaker
Food Chinese Name 大黄鱼、小黄鱼
Food Type Non-processed food
References List of non-edible substances that may be illegally added in food (fifth batch)

Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM		 

DrugBank

Link

References

TitleDOI/PubMed/ISSN
List of non-edible substances that may be illegally added in food (fifth batch)