CAS No.: 27503-81-7 — Ensulizole (2-苯基苯并咪唑-5-磺酸)

1. Primary Information

English name:	Ensulizole
CAS No.:	27503-81-7
Molecular formula:	C₁₃H₁₀N₂O₃S
Molecular weight:	274.30 g/mol
SMILES:	C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O
Structural class:
Other identifiers:	2-phenylbenzimidazole-5-sulfonic acid 2-phenylbenzimidazole-5-sulfonic acid, monosodium salt ensulizole Eusolex 232 novantisol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥99%	320	2-8℃	in stock	-
Kehua Intelligence	5g	98%(T)	64	2-8℃	in stock	-
Kehua Intelligence	25g	98%(T)	115	2-8℃	in stock	-
Kehua Intelligence	100g	98%(T)	288	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 31 0 0 0 0 0 0 0999 V2000 -4.5748 0.5379 0.1661 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9897 0.9570 -1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 -0.5623 0.5568 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5045 1.7500 0.9661 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 0.7983 0.1529 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 -1.3674 -0.2232 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5883 0.2466 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 -1.1058 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -0.2049 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 0.7974 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9443 -0.0820 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4517 -1.9749 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 0.0395 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 -1.4438 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 -0.9605 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4997 1.2756 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 -0.7243 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 1.5117 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7459 0.5118 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 1.7738 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9969 1.8590 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 -3.0342 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5855 -2.1213 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 -1.9301 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 2.0718 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 -1.5025 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 2.4731 -0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 0.6954 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0055 0.2178 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 2 29 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-phenyl-3H-benzimidazole-5-sulfonic acid

4.2 InChI

InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)

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)