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95465-99-9 molecular structure
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ethyl bis(butan-2-ylsulfanyl)phosphinate

ChemBase ID: 156455
Molecular Formular: C10H23O2PS2
Molecular Mass: 270.392181
Monoisotopic Mass: 270.08770861
SMILES and InChIs

SMILES:
CCC(C)SP(=O)(OCC)SC(C)CC
Canonical SMILES:
CCOP(=O)(SC(CC)C)SC(CC)C
InChI:
InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3
InChIKey:
KXRPCFINVWWFHQ-UHFFFAOYSA-N

Cite this record

CBID:156455 http://www.chembase.cn/molecule-156455.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl bis(butan-2-ylsulfanyl)phosphinate
IUPAC Traditional name
cadusafos
Synonyms
O-Ethyl S,S-bis(1-methylpropyl) phosphorodithioate
Cadusafos
Phosphorodithioic Acid O-Ethyl S,S-Bis(1-methylpropyl) Ester
Sebufos
Sebuphos
Cadusafos
O-乙基 S,S-二仲丁基二硫代磷酸酯
硫线磷
CAS Number
95465-99-9
MDL Number
MFCD00072511
Beilstein Number
8140049
PubChem SID
162250593
PubChem CID
91752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 91752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0006366  LogD (pH = 7.4) 4.0006366 
Log P 4.0006366  Molar Refractivity 73.1724 cm3
Polarizability 29.359327 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
129 °C expand Show data source
264.2 °F expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) 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
Risk Statements
25-26-27-50/53 expand Show data source
Safety Statements
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-H400 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
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H23O2PS2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 32505 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - C060000 external link
Organophosphate pesticide used in the agriculture industry

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hirahara, Y., et al.: J. Health Sci., 51, 617 (2005)
  • • Meher, H., et al.: Pesticide Res. J., 17, 85 (2005)
  • • Cho, K., et al.: J. Agric. Food Chem., 57, 1882 (200
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PATENTS

PATENTS

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INTERNET

INTERNET

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