Phoxim


PubChem CID 9570290
Molecular Formula C12H15N2O3PS
Structure Compound Image
Synonyms
PHOXIM
Baythion
Valexon
Volaton
Valexone
14816-18-3
Foxima
Phoxime
BAY 77488
Bayer 77488
BAY sra 7502
Bayer 9053
BAY 5621
OMS 1170
ENT 27488
Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime
B 77488
(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile
3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide
2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile
Phenylglyoxylonitrile oxime O,O-diethyl phosphorothioate
O,O-Diethyl phosphorothioate, O-ester with phenylglyoxylonitrile oxime
Phoxim 10 microg/mL in Cyclohexane
4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide
Phoxim 100 microg/mL in Cyclohexane
NCGC00166158-01
DTXCID6014324
Phoxim [INN:BAN]
Caswell No. 902L
Phoximum
Foxima [INN-Spanish]
Phoxime [INN-French]
Phoxime [ISO-French]
Phoximum [INN-Latin]
Phenylglyoxylnitrile oxime O,O-diethyl phosphorothioate
Sebacil (insecticide)
CAS-14816-18-3
Phoxim [BSI:ISO]
SRA 7502
EINECS 238-887-3
6F5V775VPO
BAYER-9053
Bay-77488
DTXSID8034324
EPA Pesticide Chemical Code 598800
UNII-6F5V775VPO
Phoxin
Foxim
AI3-27448
Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile
Phoxim (BAN)
O,O-Diethyl alpha-cyanobenzylideneamino-oxyphosphonothioate
Bayer 5621
Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-
O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat [German]
O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat [German]
Sebacil; Tomiguard PE 50; Toyothion; Valexon; Volaton
Sebacil [veterinary] (TN)
SCHEMBL591312
CHEMBL1906626
ATROHALUCMTWTB-WYMLVPIESA-
O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat
Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate
Glyoxylonitrile, phenyl-, oxime, O,O-diethyl phosphorothioate
O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat
Phoxim 1000 microg/mL in Acetone
Tox21_113357
Tox21_301580
AKOS015915518
AKOS040753538
Tox21_113357_1
NCGC00163705-02
NCGC00166158-02
NCGC00255304-01
1ST20170
DA-66685
Phoxim, PESTANAL(R), analytical standard
C18757
D08373
A808742
SR-01000883974
J-008445
SR-01000883974-1
Q27895843
(2Z)-2-diethoxyphosphinothioyloxyimino-2-phenylacetonitrile
Benzeneacetonitrile, [[(diethoxyphosphinothioyl)oxy]imino]-
O,O-Diaethyl-O-(.alpha.-cyanbenzyliden-amino)-thionphosphat
O,O-Diethyl-.alpha.-cyanobenzylidineaminooxyphosphonothiate
(2Z)-2-diethoxyphosphinothioyloxyimino-2-phenyl-ethanenitrile
.alpha.-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile
O,O-Diaethyl-O-(.alpha.-cyano-benzylidenamino)-monothiophosphat
O,O-Diethyl .alpha.-cyanobenzylideneamino-oxyphosphonothioate
O,O-Diethyl O-(.alpha.-cyanobenzylideneamino)phosphorothioate
Benzeneacetonitrile, .alpha.-[[(diethoxyphosphinothioyl)oxy]imino]-
4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitril 4-sulfide
O,O-Diethyl (E)-(((cyano(phenyl)methylene)amino)oxy)phosphonothioate
InChI=1/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+

Computed Descriptors


IUPAC Name (Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
SMILES CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
Canonical SMILES CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1
InChI InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
InChIKey ATROHALUCMTWTB-WYMLVPIESA-N

Computed Properties

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Molecular Weight 298.3 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 298.054
Monoisotopic Mass 298.054
Topological Polar Surface Area 95.9
Heavy Atom Count 19
Formal Charge 0
Complexity 389
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

Annotation

  • D004791 - Enzyme Inhibitors|D010575 - Pesticides
  • D007306 - Insecticides|D016573 - Agrochemicals|D018377 - Neurotransmitter Agents
  • D018678 - Cholinergic Agents
  • D002800 - Cholinesterase Inhibitors
  • 3 pairs of Verified P450 and Phoxim


    Insect Gene Symbol Validation Reference
    Bemisia tabaci CYP6CM1 R
    Bradysia odoriphaga CYP3828A1 R
    Bradysia odoriphaga CYP6SX1 R