N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzenecarboximidamide

• ChemBase编号: 102581
• 分子式: C18H17N5S
• 平均质量: 335.42608
• 单一同位素质量: 335.12046657
• SMILES: Cc1c(C)nc(s1)/N=N/C(=N/Nc1ccccc1)/c1ccccc1
• Canonical SMILES: Cc1sc(nc1C)/N=N/C(=N/Nc1ccccc1)/c1ccccc1
• InChI: InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3
• InChIKey: GIFKVQOPAJDJLO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzenecarboximidamide; (NE,E)-N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzene-1-carboximidamide
• IUPAC传统名: N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzenecarboximidamide; (NE,E)-N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzene-1-carboximidamide
• 别名: 1-(4,5-Dimethylthiazol-2-yl)-3,5-diphenylformazan; Thiazolyl blue formazan; MTT FORMAZAN; MTT Formazan

登记号

• CAS号: 57360-69-7
• MDL号: MFCD00080731
• PubChem SID: 162088703; 24896591
• PubChem CID: 16218671

理论计算性质

• Acid pKa: 13.354387
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 5.569525
• LogD (pH = 7.4): 5.7246976
• Log P: 5.755733
• 摩尔折射率: 99.9921 cm^3
• 极化性: 36.183987 Å^3
• 极化表面积: 62.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: purple powder

安全信息

• 保存条件: 2-8°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

详细说明

MP Biomedicals - 02102228

Purple powder.

Sigma Aldrich - M2003

Frequently Asked Questions
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包装
1 g in glass bottle