CAS No.: 33005-95-7 — Tiaprofenic acid (噻洛芬酸)

1. Primary Information

English name:	Tiaprofenic acid
CAS No.:	33005-95-7
Molecular formula:	C₁₄H₁₂O₃S
Molecular weight:	260.31 g/mol
SMILES:	CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O
Structural class:
Other identifiers:	Apo-Tiaprofenic FC 3001 Flanid Novo-Tiaprofenic Nu-Tiaprofenic

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	≥90%	1488	2-8°C	in stock	-
Kehua Intelligence	25mg	>98%(GC)(T)	309	2-8°C	in stock	-
Kehua Intelligence	100mg	>98%(GC)(T)	440	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 1 0 0 0 0 0999 V2000 0.7680 -0.6815 1.0889 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 1.4818 0.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -2.4757 0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 1.9068 -0.6712 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 -0.1747 0.6060 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1108 -0.5063 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -1.0210 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 -0.7121 -1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 -1.2422 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -1.0175 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -1.2977 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 1.1743 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 -0.2470 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 1.0762 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9931 -0.5621 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 2.0841 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 0.4459 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5879 1.7690 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -0.0627 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 -0.6496 -2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -2.2320 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -1.2966 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 -1.0219 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 -1.2159 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2664 1.3666 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3071 -1.5847 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 3.1143 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9954 0.2009 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3386 2.5537 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 2.3430 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 12 1 0 0 0 0 2 30 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 6 8 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(5-benzoylthiophen-2-yl)propanoic acid

4.2 InChI

InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)

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)