PubChem CID | 9570290 |
Molecular Formula | C12H15N2O3PS |
Structure |
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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+ |
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 |
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 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Bemisia tabaci | CYP6CM1 | R | |
Bradysia odoriphaga | CYP3828A1 | R | |
Bradysia odoriphaga | CYP6SX1 | R |