CAS No.: 51707-55-2 — Thidiazuron (-)

1. Primary Information

English name:	Thidiazuron
CAS No.:	51707-55-2
Molecular formula:	C₉H₈N₄OS
Molecular weight:	220.25 g/mol
SMILES:	C1=CC=C(C=C1)NC(=O)NC2=CN=NS2
Structural class:
Other identifiers:	1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea DROPP SN 49537 thidiazuron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	920	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	96	-20℃；避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	256	-20℃；避光	in stock	-
Kehua Intelligence	25g	高纯，98%	80	2-8℃	in stock	-
Kehua Intelligence	100g	高纯，98%	280	2-8℃	in stock	-
Kehua Intelligence	500g	高纯，98%	1040	2-8℃	in stock	-
Kehua Intelligence	100mg	植物细胞培养级，98%	64	2-8℃	in stock	-
Kehua Intelligence	500mg	植物细胞培养级，98%	240	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 24 0 0 0 0 0 0 0999 V2000 4.0249 1.4212 0.0008 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2743 -1.3051 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 0.7471 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 0.7192 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7115 -0.9886 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 0.2375 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 0.3697 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 1.3438 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 -0.9819 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -0.0789 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5363 0.9663 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 -1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 -0.3853 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7772 0.2677 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -0.9734 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6791 1.7494 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 2.4008 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 -1.7953 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 1.7290 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3137 1.7247 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 -2.4116 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9262 -0.6793 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.9179 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 15 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-phenyl-3-(thiadiazol-5-yl)urea

4.2 InChI

InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)

4.3 InChIKey

HFCYZXMHUIHAQI-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)