CAS No.: 98886-44-3 — Fosthiazate (噻唑磷)

1. Primary Information

English name:	Fosthiazate
CAS No.:	98886-44-3
Molecular formula:	C₉H₁₈NO₃PS₂
Molecular weight:	283.4 g/mol
SMILES:	CCC(C)SP(=O)(N1CCSC1=O)OCC
Structural class:
Other identifiers:	(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate fosthiazate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in acetone	624	2-8℃	in stock	-
Kehua Intelligence	10mg	98%	640	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 34 0 1 0 0 0 0 0999 V2000 1.5594 0.9057 0.2733 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 1.6839 0.9891 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.1787 -0.6178 P 0 0 2 0 0 0 0 0 0 0 0 0 -0.1420 -1.6453 0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 -0.3065 -2.0982 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 0.5006 2.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 0.6130 -0.2899 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 1.2171 -1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0603 -0.0090 -0.1321 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7247 1.3536 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3199 0.6938 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 0.8295 1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9438 -1.4184 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5087 2.1073 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 -2.5333 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 -3.8135 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3029 0.5975 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 2.1947 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 -0.0793 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2889 2.1513 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 0.4121 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 0.7250 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 0.1016 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -1.9417 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 -2.0253 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 -1.4182 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 2.1214 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 2.8002 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4888 2.4910 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 -2.0689 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 -2.7433 -1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8367 -4.5246 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 -4.2791 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 -3.6070 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 15 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one

4.2 InChI

InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3

4.3 InChIKey

DUFVKSUJRWYZQP-UHFFFAOYSA-N

4.4 Canonical SMILES

CCC(C)SP(=O)(N1CCSC1=O)OCC

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)