2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

• ChemBase编号: 59511
• 分子式: C10H16BNO3S
• 平均质量: 241.11494
• 单一同位素质量: 241.09439478
• SMILES: B1(c2sc(nc2)OC)OC(C(O1)(C)C)(C)C
• Canonical SMILES: COc1ncc(s1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H16BNO3S/c1-9(2)10(3,4)15-11(14-9)7-6-12-8(13-5)16-7/h6H,1-5H3
• InChIKey: NNPOTMMCXYMAPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• IUPAC传统名: 2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• 别名: 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole; 2-(2-Methoxythiazol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-Methoxy-1,3-thiazole-5-boronic acid, pinacol ester; 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole; 2-METHOXYTHIAZOLE-5-BORONIC ACID PINACOL ESTER

登记号

• MDL号: MFCD10688611
• PubChem SID: 162064274
• PubChem CID: 45785791

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.8319998
• LogD (pH = 7.4): 2.832
• Log P: 2.832
• 摩尔折射率: 56.0179 cm^3
• 极化性: 24.363546 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA收录: false

产品相关信息

• 纯度: 98%