Basic information
- CAS
39184-27-5- Standard SMILES
CNC(=O)ON=C(CS(C)=O)C(C)(C)C- InChIKey
NLMRMVVMKCKWFL-UHFFFAOYSA-N- Molecular formula
- C9H18N2O3S
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.10381361
Overview
See also: Thiofanox sulfoxide (annotation moved to).
Names & identifiers
- Preferred name
- Thiofanox-sulfoxide
- IUPAC
- [(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate
- English name
- THIOFANOX-SULFOXIDE PESTANAL 100 MG
- Molecular formula
- C9H18N2O3S
- Molecular weight
- 234.32
Names & synonyms
Thiofanox-sulfoxideSCHEMBL11302075NS00005918Thiofanox sulphoxideThiofanox sulfoxide SolutionC17508000 Thiofanox-sulfoxideThiofanox sulfoxide in MethanolThiofanox sulfoxide in AcetonitrileTHIOFANOX-SULFOXIDE PESTANAL 100 MGAtorvastatin Impurity 52 Disodium SaltThiofanox sulfoxide @100 μg/mL in MethanolThiofanox-sulfoxide 10.0 μg/ml Acetonitrile
Show more names
3,3-dimethyl-1-(methylsulfinyl)-2-butanono-((methylamino)carbonyl)oxime
Database identifiers
- CAS
39184-27-5- PubChem CID
- 38229
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
LogP2.75
Physicochemical properties
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.6 · 13.60±0.46(Predicted)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-
- InChIKey
- NLMRMVVMKCKWFL-XFFZJAGNSA-N
- SMILES
- CNC(=O)O\N=C(\CS(C)=O)C(C)(C)C
- EPA Substance Registry System
- 2 · 2-Butanone, 3,3-dimethyl-1-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime (39184-27-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
- rtecs
- EL8170000
- ridadr
- UN 2811 6.1/PG 1
- risk_code
- 24-28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 28-36/37-45
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300+H310
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 2 Oral
- Precautionary statements
- P262-P264-P270-P280-P301+P310-P302+P352+P310
Chemistry & industry
Applications
UsesThiofanox Sulfoxide is a pesticide.
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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