CAS No.: 1081-34-1 — 2,2':5',2''-Terthiophene (α-三联噻吩)

1. Primary Information

English name:	2,2':5',2''-Terthiophene
CAS No.:	1081-34-1
Molecular formula:	C₁₂H₈S₃
Molecular weight:	248.4 g/mol
SMILES:	C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3
Structural class:
Other identifiers:	2,2,5,2''-terthiophene alpha-terthienyl alpha-terthiophene terthiophene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	GC≥98%	160	2-8℃	in stock	-
Kehua Intelligence	1g	≥98%	24	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%	72	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	304	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	1200	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 25 0 0 0 0 0 0 0999 V2000 0.0008 -0.8227 0.2074 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7767 1.1301 0.4295 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7761 1.1299 0.4301 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 0.3257 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2296 0.3246 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.0322 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -0.0325 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 1.5552 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 1.5547 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1553 -1.2726 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 -1.2726 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -1.2686 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5673 -1.2683 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0357 -0.0255 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0355 -0.0252 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 2.4256 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 2.4247 -0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5997 -2.1536 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6004 -2.1537 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 -2.1329 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -2.1324 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0574 0.2595 0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 0.2600 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 20 1 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,5-dithiophen-2-ylthiophene

4.2 InChI

InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H

4.3 InChIKey

KXSFECAJUBPPFE-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)