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56070-16-7 molecular structure
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diethyl {[(2-methylpropane-2-sulfonyl)methyl]sulfanyl}(sulfanylidene)phosphonite

ChemBase ID: 157088
Molecular Formular: C9H21O4PS3
Molecular Mass: 320.429401
Monoisotopic Mass: 320.03395878
SMILES and InChIs

SMILES:
CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
Canonical SMILES:
CCOP(=S)(SCS(=O)(=O)C(C)(C)C)OCC
InChI:
InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3
InChIKey:
DWZSTEUTHNUVQD-UHFFFAOYSA-N

Cite this record

CBID:157088 http://www.chembase.cn/molecule-157088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl {[(2-methylpropane-2-sulfonyl)methyl]sulfanyl}(sulfanylidene)phosphonite
IUPAC Traditional name
terbufos sulfone
Synonyms
Terbufos-sulfone
特丁磷砜
CAS Number
56070-16-7
MDL Number
MFCD01863139
Beilstein Number
2279368
PubChem SID
162251225
24869696
PubChem CID
41718

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 41718 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3074703  LogD (pH = 7.4) 2.3074703 
Log P 2.3074703  Molar Refractivity 78.6505 cm3
Polarizability 32.697224 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
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 expand Show data source
Safety Statements
36/37/39-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H330 expand Show data source
GHS Precautionary statements
P260-P264-P280-P284-P301 + P310-P302 + P350 expand Show data source
P260-P264-P280-P284-P302 + P350-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
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C9H21O4PS3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 31580 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 46043 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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