2-[3,5-bis(thiophen-2-yl)phenyl]thiophene

• ChemBase编号: 136652
• 分子式: C18H12S3
• 平均质量: 324.48288
• 单一同位素质量: 324.01011338
• SMILES: c1cc(sc1)c1cc(cc(c1)c1cccs1)c1cccs1
• Canonical SMILES: c1csc(c1)c1cc(cc(c1)c1cccs1)c1cccs1
• InChI: InChI=1S/C18H12S3/c1-4-16(19-7-1)13-10-14(17-5-2-8-20-17)12-15(11-13)18-6-3-9-21-18/h1-12H
• InChIKey: UBHPRZXDFVCNHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[3,5-bis(thiophen-2-yl)phenyl]thiophene
• IUPAC传统名: 2-[3,5-bis(thiophen-2-yl)phenyl]thiophene
• 别名: 1,3,5-Tri(thiophen-2-yl)benzene; 1,3,5-Tris(2-thienyl)benzene

登记号

• CAS号: 15509-95-2
• MDL号: MFCD02323391
• PubChem SID: 162230922
• PubChem CID: 4121433

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.246366
• LogD (pH = 7.4): 6.246366
• Log P: 6.246366
• 摩尔折射率: 92.1363 cm^3
• 极化性: 39.266975 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 154-160 °C

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C18H12S3

详细说明

Sigma Aldrich - 750042

Application
This material is a trifunctionalized monomer for the synthesis of conjugated C3-symmetric poly(arylbenzene) polymers which can be used in Organic Photovoltaic Devices as well as OFET and OLED systems.1
包装
1 g in glass bottle