CAS No.: 116-43-8 — Succinylsulfathiazole (丁二酰磺胺噻唑)

1. Primary Information

English name:	Succinylsulfathiazole
CAS No.:	116-43-8
Molecular formula:	C₁₃H₁₃N₃O₅S₂
Molecular weight:	355.4 g/mol
SMILES:	C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2
Structural class:
Other identifiers:	4'-(2-thiazolylsulfamoyl)succinanilic acid succinylsulfathiazole succinylsulfathiazole monohydrate sulfasuccithiazole

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥99%	360	RT	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	RT	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	RT	in stock	-
Kehua Intelligence	5g	≥98%	80	RT	in stock	-
Kehua Intelligence	25g	≥98%	304	RT	in stock	-
Kehua Intelligence	100g	≥98%	960	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 37 0 0 0 0 0 0 0999 V2000 3.1118 -0.8492 -0.6719 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 0.5234 1.9077 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -2.2279 -0.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -0.0723 -1.8784 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4391 1.1828 -0.7786 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3679 1.4951 -0.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7675 -0.4015 0.9861 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -0.7825 0.3036 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6877 0.0073 0.7029 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4652 1.1130 -0.5187 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -0.8296 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3427 -0.7986 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.8608 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 0.2170 -0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -1.8452 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 0.2325 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0666 -0.1653 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6553 0.1737 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0594 0.8924 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 0.5678 0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4668 0.5744 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2971 1.3106 0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7636 1.5431 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.6822 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 1.0338 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -2.6524 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 1.0766 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 -1.1477 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0743 -0.2420 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 -1.5681 0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 -0.4458 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0539 0.9581 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 1.8714 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2818 1.5579 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2845 2.0267 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2780 1.2803 0.1832 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 9 1 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 5 18 2 0 0 0 0 6 21 1 0 0 0 0 6 36 1 0 0 0 0 7 21 2 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 30 1 0 0 0 0 9 20 1 0 0 0 0 9 31 1 0 0 0 0 10 20 2 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid

4.2 InChI

InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)

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)