N-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine

• ChemBase编号: 278734
• 分子式: C7H7N3OS
• 平均质量: 181.21498
• 单一同位素质量: 181.03098286
• SMILES: c12n(c(c(n1)C)/C=N/O)ccs2
• Canonical SMILES: Cc1nc2n(c1/C=N/O)ccs2
• InChI: InChI=1S/C7H7N3OS/c1-5-6(4-8-11)10-2-3-12-7(10)9-5/h2-4,11H,1H3
• InChIKey: WWFGVUGEIUIZMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine
• IUPAC传统名: N-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine
• 别名: N-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine

登记号

• MDL号: MFCD17257283
• PubChem SID: 164334644
• PubChem CID: 9555501

理论计算性质

• Acid pKa: 10.374023
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.4121555
• LogD (pH = 7.4): 0.4151935
• Log P: 0.4157
• 摩尔折射率: 58.3871 cm^3
• 极化性: 17.06143 Å^3
• 极化表面积: 49.89 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.373

产品相关信息

• 纯度: 95%