CAS No.: 34681-10-2 — 3-(Methylthio)-2-butanone O-(methylcarbamoyl)oxime (Butocarboxim)

1. Primary Information

English name:	3-(Methylthio)-2-butanone O-(methylcarbamoyl)oxime
CAS No.:	34681-10-2
Molecular formula:	C₇H₁₄N₂O₂S
Molecular weight:	190.27 g/mol
SMILES:	CC(C(=NOC(=O)NC)C)SC
Structural class:
Other identifiers:	butocarboxime Drawin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	416	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	208	2-8℃	in stock	-
Kehua Intelligence	10mg	98%	200	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 25 0 1 0 0 0 0 0999 V2000 -2.9013 0.2440 -1.3589 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 -0.3982 0.4446 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 1.1813 -0.8891 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 0.3018 0.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2896 -0.4857 0.1749 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5122 0.4124 0.4121 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1489 -0.2252 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 1.8777 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 -1.4276 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 -1.5594 -1.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1376 0.1949 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -0.1161 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 -0.1284 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 2.4906 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5677 2.2973 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3139 1.9799 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 -1.1373 2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -1.8057 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5152 -2.2323 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 -1.8646 -2.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -2.0075 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -1.9382 -1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2097 -1.2899 0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5602 0.7510 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 -0.9705 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2263 0.1120 0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 7 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 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 10 22 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(E)-3-methylsulfanylbutan-2-ylideneamino] N-methylcarbamate

4.2 InChI

InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+

4.3 InChIKey

SFNPDDSJBGRXLW-WEVVVXLNSA-N

4.4 Canonical SMILES

CC(C(=NOC(=O)NC)C)SC

4.5 Isomeric SMILES

CC(/C(=N/OC(=O)NC)/C)SC

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)