3,7-diamino-5λ4-phenothiazin-5-ylium acetate

• ChemBase编号: 130795
• 分子式: C14H13N3O2S
• 平均质量: 287.33692
• 单一同位素质量: 287.07284767
• SMILES: CC(=O)[O-].c1cc2c(cc1N)[s+]c1cc(ccc1n2)N
• Canonical SMILES: Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.[O-]C(=O)C
• InChI: InChI=1S/C12H10N3S.C2H4O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;1-2(3)4/h1-6H,13-14H2;1H3,(H,3,4)/q+1;/p-1
• InChIKey: OWXBIRAFHWASMS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 3,7-diamino-5λ^4-phenothiazin-5-ylium acetate; 3,7-diamino-5λ^4,10-phenothiazin-5-ylium acetate
• IUPAC传统名: thionine(1+) acetate
• 别名: 硫堇,劳氏紫; Thionin acetate; 3,7-Diamino-5-phenothiazinium acetate; Lauth’s violet; Thionin acetate salt

登记号

• CAS号: 78338-22-4
• MDL号: MFCD00081194
• Beilstein号: 4345073
• PubChem SID: 24889155; 24888537; 24900137; 162225073; 24900243
• PubChem CID: 2724414
• Color Index Number: 52000

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.73964494
• LogD (pH = 7.4): 0.7393676
• Log P: 0.739364
• 摩尔折射率: 67.5195 cm^3
• 极化性: 27.16413 Å^3
• 极化表面积: 64.93 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 紫外吸收波长: λmax 598 nm

安全信息

• 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: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 级别: certified by the Biological Stain Commission; for microscopy (Bact., Bot., Hist.)
• 主要成分: Dye content, ≥85%; Dye content, 85%
• Empirical Formula (Hill Notation): C12H9N3S · C2H4O2

详细说明

Sigma Aldrich - T7029

Application
For use as a general nuclear stain for chromatin and mucin; for staining Nissl granules by end-point buffering and for showing malignant cells in frozen biopsy sections; and as a stain for semi-thin sections of plant material for light microscopy.
包装
5, 25 g in glass bottle
Suitability
Certified for use in Churukian-Schenk thionine method; Stoughton′s method for plant material.

Sigma Aldrich - 861340

Application
A metachromic cationic dye. Widely used as a biological stain especially in histology.
包装
5, 25 g in glass bottle