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2032-65-7 molecular structure
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3,5-dimethyl-4-(methylsulfanyl)phenyl N-methylcarbamate

ChemBase ID: 128314
Molecular Formular: C11H15NO2S
Molecular Mass: 225.3073
Monoisotopic Mass: 225.08234973
SMILES and InChIs

SMILES:
O=C(Oc1cc(c(SC)c(c1)C)C)NC
Canonical SMILES:
CNC(=O)Oc1cc(C)c(c(c1)C)SC
InChI:
InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
InChIKey:
YFBPRJGDJKVWAH-UHFFFAOYSA-N

Cite this record

CBID:128314 http://www.chembase.cn/molecule-128314.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyl-4-(methylsulfanyl)phenyl N-methylcarbamate
IUPAC Systematic name
3,5-Dimethyl-4-(methylsulfanyl)phenyl N-methylcarbamate
IUPAC Traditional name
grandslam
Synonyms
Mercaptodimethur
Methiocarb
Methiocarb
Mercaptodimethur
Methiocarb
灭虫威
甲硫威
甲硫威
灭虫威
CAS Number
2032-65-7
EC Number
217-991-2
MDL Number
MFCD00055450
Beilstein Number
1881431
PubChem SID
162222622
PubChem CID
16248
CHEBI ID
38508
CHEMBL
1076495
Chemspider ID
15417
KEGG ID
C18651
MeSH Name
Methiocarb
Wikipedia Title
Methiocarb

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 3.1256971  Log P 3.1256971 
Molar Refractivity 63.6051 cm3 Polarizability 24.301805 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.77196 
H Acceptors H Donor
LogD (pH = 5.5) 3.1256971 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
FC5775000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic 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
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
25-50/53 expand Show data source
Safety Statements
22-37-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Skin irritant, carcinogenic, neurotoxin expand Show data source
GHS Hazard statements
H301-H410 expand Show data source
GHS Precautionary statements
P273-P301 + P310-P501 expand Show data source
P273-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (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
Packaging
ampule of 1000 mg expand Show data source
Empirical Formula (Hill Notation)
C11H15NO2S expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 36152 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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