(3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate
Basic information
- CAS
34681-24-8- Standard SMILES
CNC(=O)ON=C(C)C(C)S(C)=O- InChIKey
RCTCYOQIGNPQJH-UHFFFAOYSA-N- Molecular formula
- C7H14N2O3S
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.07251349
Names & identifiers
- Preferred name
- (3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate
- IUPAC
- (3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate
- English name
- Butocarboxim sulfoxide
- Molecular formula
- C7H14N2O3S
- Molecular weight
- 206.26
Names & synonyms
(3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamateRCTCYOQIGNPQJH-UHFFFAOYSA-NMSK20281NS000080206,7-Dimethyl-8-oxo-4-oxa-8lambda~4~-thia-2,5-diazanon-5-en-3-oneButocarboxim sulfoxideBUTOCARBOXIM SULPHOXIDEAllocholic Acid Impurity 22BUTOCARBOXIMSULFOXIDE PESTANAL, 100 MGButocarboxim sulfoxide @100 μg/mL in MethanolButocarboxim-sulfoxide 100 μg/mL in Acetonitrile3-(Methylsulfinyl)-2-butanone O-(methylcarbamoyl)oxime
Show more names
3-Methylsulfinyl-2-butanone O-[(methylamino)carbonyl]oxime3-(methylsulphinyl)butan-2-one O-[(methylamino)carbonyl]oxime2-Butanone, 3-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime
Database identifiers
- CAS
34681-24-8- PubChem CID
- 119464
- DTXSID
DTXSID701016538
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- storage temp.
- 4 °C · APPROX 4°C
- Major Application
- agricultureenvironmental
- InChI
- 1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+
- InChIKey
- RCTCYOQIGNPQJH-WEVVVXLNSA-N
- SMILES
- CNC(=O)O\N=C(/C)C(C)S(C)=O
- EPA Substance Registry System
- 2 · 2-Butanone, 3-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime (34681-24-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P270-P301+P310-P405-P501
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 25 · 25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN2811 6.1/PG 3
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300
- Hazard Classifications
- Acute Tox. 2 Oral
- Precautionary statements
- P264-P270-P301+P310-P405-P501
Chemistry & industry
Applications
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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