Home > Compound List > Compound details
3689-24-5 molecular structure
click picture or here to close

diethyl {[diethoxy(sulfanylidene)-λ5-phosphanyl]oxy}(sulfanylidene)phosphonite

ChemBase ID: 130286
Molecular Formular: C8H20O5P2S2
Molecular Mass: 322.318922
Monoisotopic Mass: 322.022739
SMILES and InChIs

SMILES:
CCOP(=S)(OCC)OP(=S)(OCC)OCC
Canonical SMILES:
CCOP(=S)(OP(=S)(OCC)OCC)OCC
InChI:
InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
InChIKey:
XIUROWKZWPIAIB-UHFFFAOYSA-N

Cite this record

CBID:130286 http://www.chembase.cn/molecule-130286.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl {[diethoxy(sulfanylidene)-λ5-phosphanyl]oxy}(sulfanylidene)phosphonite
diethoxy(sulfanylidene)-λ5-phosphanyl ethyl ethoxy(sulfanylidene)phosphonite
IUPAC Traditional name
diethyl [diethoxy(sulfanylidene)-λ5-phosphanyl]oxy(sulfanylidene)phosphonite
diethoxy(sulfanylidene)-λ5-phosphanyl ethyl ethoxy(sulfanylidene)phosphonite
dithione
Synonyms
Thiodiphosphoric Acid ([(HO)2P(S)]2O) OP,OP,OP',OP'-Tetraethyl Ester
Thiodiphosphoric acid ([(HO)2P(S)]2O) Tetraethyl Ester
ASP 47
Bladafum
Dithiofos
Dithion
Dithione
Dithiophos
E 393
Sulfotepp
Ethyl Thiopyrophosphate ([(EtO)2PS]2O)
Fulex
NSC 66403
O,O,O,O-Tetraethyl Dithiopyrophosphate
O,O,O',O'-Tetraethyl Dithiopyrophosphate
Plantfume 103
TEDTP
Thiotepp
Sulfotep
Dithiophop
Dithiop
Bladafup
Dithiofop
Dithionp
Dithiotep
Pirofop
TEDP
Sulfotep
O,O,O′,O′-Tetraethyl dithiopyrophosphate
Sulfotep
二硫代焦磷酸 O,O,O′,O′-四乙酯
治螟磷
CAS Number
3689-24-5
EC Number
222-995-2
MDL Number
MFCD00026764
Beilstein Number
1714019
PubChem SID
24869213
162224565
24899135
PubChem CID
19395
Unique Ingredient Identifier
V41BK2EE8X
Wikipedia Title
Sulfotep

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 32.35956 Å3 Polar Surface Area 46.15 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 3.2769115  LogD (pH = 7.4) 3.2769115 
Log P 3.2769115  Molar Refractivity 78.4302 cm3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
30 mg/l in water expand Show data source
Apperance
liquid expand Show data source
Melting Point
not available expand Show data source
Boiling Point
136-139°C @ 2 mm Hg expand Show data source
Flash Point
-18 °C expand Show data source
Auto Ignition Point
not available expand Show data source
Density
1.196 kg/cm3 expand Show data source
RTECS
XN4375000 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
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
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
NFPA704
NFPA 704 diagram
1
4
0
expand Show data source
GHS Hazard statements
H300-H310-H410 expand Show data source
GHS Precautionary statements
P264-P273-P280-P301 + P310-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
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 50 mg expand Show data source
Empirical Formula (Hill Notation)
C8H20O5P2S2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 45664 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - S689085 external link
An organophosphate pesticide that is an inhibitor of acetylcholinesterase (AChE).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Yan, D. et al.: Zhong. Huan. Kex., 26, 364 (2006)
  • • Wood, S.J. et al.: Pest. Sci., 32, 485 (2006)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle