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2635-10-1 molecular structure
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4-methanesulfinyl-3,5-dimethylphenyl N-methylcarbamate

ChemBase ID: 156941
Molecular Formular: C11H15NO3S
Molecular Mass: 241.3067
Monoisotopic Mass: 241.07726435
SMILES and InChIs

SMILES:
Cc1cc(cc(c1S(=O)C)C)OC(=O)NC
Canonical SMILES:
CNC(=O)Oc1cc(C)c(c(c1)C)S(=O)C
InChI:
InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKey:
FNCMBMZOZQAWJA-UHFFFAOYSA-N

Cite this record

CBID:156941 http://www.chembase.cn/molecule-156941.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methanesulfinyl-3,5-dimethylphenyl N-methylcarbamate
IUPAC Traditional name
methiocarb sulfoxide
Synonyms
4-Methylsulfinyl-3,5-xylyl-N-methylcarbamate
Mercaptodimethur sulfoxide
Mesurol sulfoxide
Methiocarb breakdown product
Methiocarb sulfoxide
4-甲基亚磺酰基-3,5-二甲苯基-N-氨基甲酸甲酯
灭梭威亚砜
灭虫威分解产物
甲硫威亚砜
灭虫威亚砜
CAS Number
2635-10-1
MDL Number
MFCD00155393
PubChem SID
24860992
162251078
PubChem CID
17521

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
34177 external link Add to cart Please log in.
Data Source Data ID
PubChem 17521 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.771813  H Acceptors
H Donor LogD (pH = 5.5) 1.2308947 
LogD (pH = 7.4) 1.2308947  Log P 1.2308947 
Molar Refractivity 65.2078 cm3 Polarizability 24.878777 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
FC5075000 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
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
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
GHS Hazard statements
H300-H400 expand Show data source
GHS Precautionary statements
P264-P273-P301 + P310 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
Storage Temperature
2-8°C expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C11H15NO3S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 34177 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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