diammonium 3-ethyl-2-[2-(3-ethyl-6-sulfonato-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-2,3-dihydro-1,3-benzothiazole-6-sulfonate

• ChemBase编号: 132958
• 分子式: C18H24N6O6S4
• 平均质量: 548.67976
• 单一同位素质量: 548.06401652
• SMILES: CCn1/c(=N/N=c/2\sc3c(n2CC)ccc(c3)S(=O)(=O)[O-])/sc2c1ccc(c2)S(=O)(=O)[O-].[NH4+].[NH4+]
• Canonical SMILES: CCn1/c(=N/N=c/2\sc3c(n2CC)ccc(c3)S(=O)(=O)[O-])/sc2c1ccc(c2)S(=O)(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-
• InChIKey: OHDRQQURAXLVGJ-AXMZSLBLSA-N

名称和登记号

名称

• IUPAC标准名: diammonium 3-ethyl-2-[2-(3-ethyl-6-sulfonato-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-2,3-dihydro-1,3-benzothiazole-6-sulfonate; diammonium (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfonato-2,3-dihydro-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-2,3-dihydro-1,3-benzothiazole-6-sulfonate
• IUPAC传统名: diammonium 3-ethyl-2-[2-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-1,3-benzothiazole-6-sulfonate; diammonium (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonate
• 别名: 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) 二铵盐; AzBTS-(NH4)2; Diammonium 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate); 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt

登记号

• CAS号: 30931-67-0
• EC号: 250-396-6
• MDL号: MFCD00010404
• Beilstein号: 7329461
• PubChem SID: 162227235; 24890599; 24891410
• PubChem CID: 9570474

理论计算性质

• Acid pKa: -2.6771793
• 质子受体: 10
• 质子供体: 0
• LogD (pH = 5.5): -1.586373
• LogD (pH = 7.4): -1.5863785
• Log P: -0.5591836
• 摩尔折射率: 124.8976 cm^3
• 极化性: 48.489956 Å^3
• 极化表面积: 145.6 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: 0.05 M phosphate-citrate buffer, pH 5.0: soluble1 tablet/100mL, clear, light green
• 外观: tablet

安全信息

• RTECS编号: DL7002000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98% (HPLC)
• 浓度: 10 mg/tablet ABTS
• 适用性: suitable as substrate for peroxidase test
• Empirical Formula (Hill Notation): C18H24N6O6S4

详细说明

Sigma Aldrich - A1888

Application
2,2′-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is green in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 1% sodium dodecyl sulfate (SDS). Recommended for ELISA (microwell) procedures, not recommended for membrane applications.

Sigma Aldrich - A9941

Application
2,2′-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is green in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 1% sodium dodecyl sulfate (SDS). Recommended for ELISA (microwell) procedures, not recommended for membrane applications.
Reconstitution
Dissolve 1 tablet in 100 ml of 0.05 M phosphate-citrate buffer, pH 5.0 (Tablets available as Sigma Product No. P4809). Add 25 μl of fresh 30% hydrogen peroxide

Sigma Aldrich - 11565

Application
2,2′-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is green in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 1% sodium dodecyl sulfate (SDS). Recommended for ELISA (microwell) procedures, not recommended for membrane applications.