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115-90-2 molecular structure
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ethyl 4-methanesulfinylphenyl ethoxy(sulfanylidene)phosphonite

ChemBase ID: 127408
Molecular Formular: C11H17O4PS2
Molecular Mass: 308.354041
Monoisotopic Mass: 308.03058765
SMILES and InChIs

SMILES:
S=P(Oc1ccc(cc1)S(=O)C)(OCC)OCC
Canonical SMILES:
CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC
InChI:
InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3
InChIKey:
XDNBJTQLKCIJBV-UHFFFAOYSA-N

Cite this record

CBID:127408 http://www.chembase.cn/molecule-127408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-methanesulfinylphenyl ethoxy(sulfanylidene)phosphonite
IUPAC Traditional name
fensulfothion
Synonyms
Diethyl 4-(methylthio)phenyl phosphate
Fensulfothion
Fensulfothion
4-(甲基硫代)苯基磷酸二乙酯
丰索磷
CAS Number
115-90-2
EC Number
204-114-3
MDL Number
MFCD00055487
Beilstein Number
2219515
PubChem SID
24899267
24868559
162221729
PubChem CID
8292
Chemspider ID
7991
Wikipedia Title
Fensulfothion

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.381254  H Acceptors
H Donor LogD (pH = 5.5) 2.1086369 
LogD (pH = 7.4) 2.1086369  Log P 2.1086369 
Molar Refractivity 79.7261 cm3 Polarizability 31.889328 Å3
Polar Surface Area 44.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Brown liquid or yellow oil expand Show data source
RTECS
TF3850000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2810 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
1 expand Show data source
Risk Statements
26/27/28-50/53 expand Show data source
Safety Statements
23-28-36/37-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300 +H310 + H330-H410 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Packaging
ampule of 100 mg expand Show data source
Empirical Formula (Hill Notation)
C11H17O4PS2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 45307 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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