CAS No.: 7128-64-5 — 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene (2,5-双(5-叔丁基-2-苯并恶唑基)噻吩)

1. Primary Information

English name:	2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
CAS No.:	7128-64-5
Molecular formula:	C₂₆H₂₆N₂O₂S
Molecular weight:	430.6 g/mol
SMILES:	CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C
Structural class:
Other identifiers:	4,4'-bis(2-di(2-hydroxyethyl)amino-4-(3-sulphophenylamino)-1,3,5-triazine-6-ylamino)stilbene-2,2'-disulphonic acid Uvitex 2B

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	96	RT	in stock	-
Kehua Intelligence	5g	BR，99%	24	RT	in stock	-
Kehua Intelligence	25g	BR，99%	48	RT	in stock	-
Kehua Intelligence	100g	BR，99%	144	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 57 61 0 0 0 0 0 0 0999 V2000 0.0001 0.5148 -0.0021 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 0.9984 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9954 0.9984 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5675 -1.1947 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5676 -1.1947 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 -0.0792 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4640 -0.0791 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0096 0.2610 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0096 0.2609 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 0.5008 1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1795 0.5022 -1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7937 -1.6079 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1789 0.4998 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1783 0.5031 1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7938 -1.6079 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0628 -0.7736 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0628 -0.7737 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6168 1.6051 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6169 1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7048 -0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 -0.4240 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 0.9192 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3586 0.9191 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 1.9709 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 1.9709 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -0.3052 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5989 -0.3053 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 -0.6768 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -0.6767 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.9534 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7123 -1.9536 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2386 0.2255 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1282 1.5945 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7155 0.1210 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1304 1.5962 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2404 0.2267 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7185 0.1238 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8775 -1.7774 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3928 -2.1068 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3934 -2.1057 -0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2399 0.2246 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1295 1.5937 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7176 0.1194 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1292 1.5971 1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2391 0.2276 1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7162 0.1254 2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8775 -1.7774 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3937 -2.1075 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3925 -2.1050 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3179 -1.8252 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3179 -1.8252 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 2.4036 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3551 2.4036 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 3.0070 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 3.0070 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 -2.8535 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 -2.8537 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 20 1 0 0 0 0 4 26 2 0 0 0 0 5 21 1 0 0 0 0 5 27 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 8 18 1 0 0 0 0 9 17 2 0 0 0 0 9 19 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 18 24 2 0 0 0 0 18 52 1 0 0 0 0 19 25 2 0 0 0 0 19 53 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole

4.2 InChI

InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3

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)

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)