CAS No.: 127-69-5 — Sulfisoxazole (磺胺异恶唑)

1. Primary Information

English name:	Sulfisoxazole
CAS No.:	127-69-5
Molecular formula:	C₁₁H₁₃N₃O₃S
Molecular weight:	267.31 g/mol
SMILES:	CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Structural class:
Other identifiers:	Ammonium Salt Sulfisoxazole Diolamine, Sulfisoxazole Gantrisin Gantrisin Pediatric Monolithium Salt Sulfisoxazole

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	320	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	5g	98%	144	2-8℃	in stock	-
Kehua Intelligence	25g	98%	600	2-8℃	in stock	-
Kehua Intelligence	100g	98%	2240	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 32 0 0 0 0 0 0 0999 V2000 0.3220 1.1320 -0.3603 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 1.1014 0.3719 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 1.7216 -1.6936 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 1.9723 0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7014 -0.2540 -0.3665 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 0.9303 0.5675 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 -1.2182 0.4665 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 0.4418 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0951 -0.0680 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 -1.0190 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2525 -0.3437 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6807 0.0677 -1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4002 0.2642 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9543 -2.4220 -0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9471 -0.4840 -1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.2873 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 -0.6615 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 -0.8738 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 -1.2064 -0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 0.1898 -2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 0.5427 2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 -2.4961 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 -3.0126 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -2.8802 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5396 -0.7730 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0393 -0.4218 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 -1.7603 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3175 -0.1383 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 -1.1562 -0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2817 -1.4913 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0783 -1.3486 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 6 11 2 0 0 0 0 7 17 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

4.2 InChI

InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3

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)