2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium chloride

• ChemBase编号: 104707
• 分子式: C17H19ClN2S
• 平均质量: 318.86416
• 单一同位素质量: 318.0957473
• SMILES: [Cl-].CN(C)c1ccc(cc1)c1[n+](C)c2c(s1)cc(C)cc2
• Canonical SMILES: Cc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C.[Cl-]
• InChI: 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
• InChIKey: JADVWWSKYZXRGX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium chloride
• IUPAC传统名: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium chloride
• 别名: Thioflavine T; Thioflavin T; C.I. 49005; Basic Yellow 1; THIOFLAVINE T; 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride

登记号

• CAS号: 2390-54-7
• EC号: 219-228-9
• MDL号: MFCD00011944
• Beilstein号: 3922452
• PubChem SID: 24888976; 24900146; 162091777
• PubChem CID: 16953
• Color Index Number: 49005

理论计算性质

• 质子供体: 0
• LogD (pH = 5.5): 0.36783046
• LogD (pH = 7.4): 0.3709858
• Log P: 0.3710262
• 摩尔折射率: 97.1703 cm^3
• 极化性: 34.588573 Å^3
• 极化表面积: 7.12 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• 质子受体: 1

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ~75% (CHNS); 95+%; Dye Content ~75%
• 级别: for microscopy (Fl., Hist.)
• 主要成分: Dye content, ~75%
• 燃烧残渣: ~7%
• Empirical Formula (Hill Notation): C17H19ClN2S

详细说明

MP Biomedicals - 02156877

C.I. 49005
(Basic Yellow 1)
Dye content: ~ 75%

Sigma Aldrich - T3516

包装
5, 25 g in glass bottle
Application
Thioflavin T is a benzothiazole dye that increases in fluorescence upon binding to amyloid.1,2 Thioflavin T has been used in histology and for protein characterization.3

Sigma Aldrich - 88630

Other Notes
Stain for human reticulocytes for flow cytometric analysis1