1326-12-1 (实用级,Thioflavine S)

结构式:
CAS号:
1326-12-1
中文名称:
实用级
英文名称:
Thioflavine S
分子式:
C17H19ClN2S
分子量:
318.864161729813
简介:
Thioflavine S 是一种荧光组织化学标记物,可用于标记老年斑块的致密核心。

实用级(1326-12-1)名称与标识符

名称

中文别名:
硫磺素S;硫磺素;实用级;硫黄素 S;直接黄7;硫代黄素S;四羟酮醇S;硫代磺素S;硫代黄色素S;
英文别名:
C.I. Direct Yellow 7;THIOFLAVINE S;THIOFLAVINE S C.I. NO. 49010;THIOFLAVINE S C.I. NO. 49010 PRACTICAL GRADE;Direct Yellow 7;Thioflavin S;thioflavine S practical grade;Amanil Brilliant Yellow S;Atlantic Brilliant Flavine S;C.I. 49010;Chloramine Brilliant Flavine S;Chromine G;Methylated sulfonated primuline base;CI 49010;CI NO 49010;VASOFLAVINE;THIOFLAVINES,PRACTICAL;Phenamine Brilliant Yellow 3G;c.i.directyellow7;CS-7552;Acronol Lake Yellow TC;NS00049463;SCHEMBL25298;Thioflavine TG;EINECS 219-228-9;Thioflavin T, used as stain for amyloid;2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride;Thioflavin T;CAX9SG0II0;C.I. 49005;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline chloride;Acronol Lake Yellow T;BP-30130;AS-72625;T0558;Basic Yellow T;CHEBI:76023;Brilliant Flavine T;Thioflavin TG;2-[4-(DIMETHYLAMINO)PHENYL]-3,6-DIMETHYLBENZOTHIAZOLIUM CHLORIDE;Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chloride;Benzothiazolium, 2-(p-(dimethylamino)phenyl)-3,6-dimethyl-, chloride;Setoflavine T;Kansai Basic Flavine 8GO;Benzothiazolium,6-dimethyl-, chloride;2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride (Thioflavin T);FT-0744526;NSC-11235;T-3730;SCHEMBL11428556;2-[4-(Dimethylamino)phenyl]-3,6-dimethylbenzo[d]thiazol-3-ium Chloride;Thioflavin TCN;2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzothiazolium chloride;2-(p-(dimethylamino)phenyl)-3,6-dimethylbenzothiazolium chloride;Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride (1:1);Rhoduline Yellow;Tannoflavine T;Methylene Yellow N;CHEMBL224392;Thioflavin TCN extra;Thioflavine TCN;3,6-Dimethyl-2-dimethylaminophenylbenzothiazolium chloride;Thioflavin S;Direct Yellow 7;Citroflavine 8G;Thioflavin T - CAS 2390-54-7;ci 49005;Thioflavine T;MFCD00011944;2390-54-7;NSC 11235;2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium chloride;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;chloride;Q2033625;Thioflavine;Methyldehydrothio-p-toluidine sulfonate;Basic Yellow 1Basic Yellow 1;Thioflavine TCND;Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride;AMY37135;AKOS016007447;HY-D0218;A930157;Methylene Yellow NI;1326-12-1;A01-0008;Nankai Basic Flavine 8G;Basic yellow 1;Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chloride (1:1);Setoflavin T;2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo-[d]thiazol-3-ium chloride;Purimofurabin 8G;Acronol Yellow T;Acronol Yellow TC;THIOFLAVIN T CHLORIDE;SY074376;C.I. Basic Yellow 1;CI BASIC YELLOW 1;NSC11235;Primoflavine 8G;O10470;DTXSID10883841;CS-W009025;Acronol Yellow TC180;UNII-CAX9SG0II0;DTXCID801023326;JADVWWSKYZXRGX-UHFFFAOYSA-M;Benzothiazolium, 2-(p-(dimethylamino)phenyl)-3,6-dimethyl-, chloride (8CI);DA-78423;ThT (dye);DA-68149;2-(4-(dimethylamino)phenyl)-3,6-dimethyl-1,3-benzothiazol-3-ium chloride;

标识符

MDL:
MFCD00071453
InChIKey:
JADVWWSKYZXRGX-UHFFFAOYSA-M
Inchi:
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
SMILES:
[Cl-].S1C2C=C(C)C=CC=2[N+](C)=C1C1C=CC(=CC=1)N(C)C

实用级(1326-12-1)物化性质

实验特性

  • PSA : 7.12
  • 溶解度 : ethanol: water (1:1): soluble1mg/mL
  • 颜色与性状 : 微黄色粉末。
  • 溶解性 : 未确定

计算特性

  • 精确分子量 : 318.09597
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 318.095747
  • 重原子数量 : 21
  • 复杂度 : 325
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 35.4

实用级(1326-12-1)国际标准相关数据

EINECS:
215-418-0

实用级(1326-12-1)参考资料

Reaxys RN:
PubChem CID: