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1646-88-4 molecular structure
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(2-methanesulfonyl-2-methylpropylidene)amino N-methylcarbamate

ChemBase ID: 158135
Molecular Formular: C7H14N2O4S
Molecular Mass: 222.26206
Monoisotopic Mass: 222.06742794
SMILES and InChIs

SMILES:
CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C
Canonical SMILES:
CNC(=O)O/N=C/C(S(=O)(=O)C)(C)C
InChI:
InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)
InChIKey:
YRRKLBAKDXSTNC-UHFFFAOYSA-N

Cite this record

CBID:158135 http://www.chembase.cn/molecule-158135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methanesulfonyl-2-methylpropylidene)amino N-methylcarbamate
(E)-(2-methanesulfonyl-2-methylpropylidene)amino N-methylcarbamate
IUPAC Traditional name
(2-methanesulfonyl-2-methylpropylidene)amino N-methylcarbamate
aldicarb sulfone
Synonyms
Aldicarb-sulfone
Aldicarb-sulfone
Aldoxycarb
Yangdimiewei
Aldicarb Sulfone
2-Methyl-2-(methylsulfonyl)propanal O-[(Methylamino)carbonyl]oxime
2-Methyl-2-(methylsulfonyl)propionaldehyde O-(Methylcarbamoyl)oxime
Aldoxycarb
Standak
Sulfocarb
Temik sulfone
UC 21865
UCES
涕灭威砜
涕灭威砜
涕灭砜威
CAS Number
1646-88-4
EC Number
216-710-0
MDL Number
MFCD00041804
Beilstein Number
2215242
PubChem SID
162252271
24899101
24860194
PubChem CID
9570093

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9570093 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.61339  H Acceptors
H Donor LogD (pH = 5.5) -0.4810101 
LogD (pH = 7.4) -0.48100394  Log P -0.4810036 
Molar Refractivity 51.197 cm3 Polarizability 20.584005 Å3
Polar Surface Area 84.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
132-135 °C expand Show data source
RTECS
UE2080000 expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
24-26/28 expand Show data source
Safety Statements
28-36/37-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H330-H400 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
P260-P264-P273-P280-P284-P302 + P350 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 10 mg expand Show data source
Suitability
passes test for identity (NMR) expand Show data source
Impurities
≤0.5% water (Karl Fischer) expand Show data source
Empirical Formula (Hill Notation)
C7H14N2O4S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 33387 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - A514660 external link
Aldicarb Sulfone is an analog of Aldicarb (A514650) detected in agricultural products as pesticide residue.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Ashby, J., et al.: Environ. Mutagen., 7, 919 (1985)
  • • Ashby, J., et al.: Mutat. Res., 257, 229 (1985)
  • • Kazius, J., et al.: J. Med. Chem., 48, 312 (1985)
  • • Benigni, R., et al.: Mutagenesis, 25, 335 (1985)
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PATENTS

PATENTS

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INTERNET

INTERNET

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