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

• ChemBase ID: 136652
• Molecular Formular: C18H12S3
• Molecular Mass: 324.48288
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3,5-bis(thiophen-2-yl)phenyl]thiophene
• IUPAC Traditional name: 2-[3,5-bis(thiophen-2-yl)phenyl]thiophene
• Synonyms: 1,3,5-Tri(thiophen-2-yl)benzene; 1,3,5-Tris(2-thienyl)benzene

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.246366
• LogD (pH = 7.4): 6.246366
• Log P: 6.246366
• Molar Refractivity: 92.1363 cm^3
• Polarizability: 39.266975 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 154-160 °C

Product Information

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

DETAILS

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