Buprofezin
| PubChem CID | 50367 |
| Molecular Formula | C16H23N3OS |
| Structure |
|
| Synonyms |
BUPROFEZIN
69327-76-0 Applaud Buprofezine NNI 750 PP618 (E)-buprofezin 2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one 953030-84-7 Buprofenzin 2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one 2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one 3B8KGI239I CHEBI:3218 DTXSID8034401 CHEBI:39381 2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one 4H-1,3,5-Thiadiazin-4-one, 2-((1,1-dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl- Buprofezin 10 microg/mL in Cyclohexane Buprofezin 100 microg/mL in Cyclohexane Courier; NNI 750; Stater; Talus;Applaud; Applaud 40SC (Z)-2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one 2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one (2Z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one Buprofezin [BSI] Buprofezin [ISO] Buprofezine [ISO-French] BRN 1010518 UNII-3B8KGI239I AI3-29749 HSDB 7610 (Z)-buprofezin 2-([1,1-Dimethylethyl]imino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one # Buprofezin solution (Z)-2-((1,1-dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one (Z)-2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one Applaud (fungicide) starbld0017019 BUPROFEZIN [MI] BUPROFEZIN [HSDB] SCHEMBL26901 SCHEMBL3625428 CHEMBL1891512 CHEMBL3186631 DTXCID6014401 SCHEMBL11019557 CHEBI:39380 AMY2484 NNI-750 NNK-758 DTXSID401009368 HY-B0831 Tox21_301088 MFCD01681899 PP-618 2-tert-butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazin-4-one AKOS015917449 AKOS025310870 Buprofezin 1000 microg/mL in Acetone KS-5376 NCGC00163828-01 NCGC00163828-02 NCGC00163828-03 NCGC00163828-04 NCGC00254988-01 4H-1,3,5-thiadiazin-4-one, 2-((1,1-dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-, (2Z)- AC-12694 NN-29285 CAS-69327-76-0 DB-009128 CS-0012845 NS00000100 NS00114384 Buprofezin, PESTANAL(R), analytical standard G13018 Q2912604 Q27119841 2-t-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one (2E)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one (E)-2-(tert-Butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one 2-t-butylimino-3-isopropyl-5-phenyl-tetrahydro-1,3,5-thiadiazin-4-one (2E)-2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (2Z)-2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (2Z)-2-[(1,1-Dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one |
Computed Descriptors
| IUPAC Name | 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one |
| SMILES | CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 |
| Canonical SMILES | CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 |
| InChI | InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 |
| InChIKey | PRLVTUNWOQKEAI-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 305.4 g/mol |
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 305.156 |
| Monoisotopic Mass | 305.156 |
| Topological Polar Surface Area | 61.2 |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 408 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
4 pairs of Verified P450 and Buprofezin
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Nilaparvata lugens | CYP439A1 | R,D | |
| Nilaparvata lugens | CYP6CW1 | R | |
| Nilaparvata lugens | CYP6ER1 | R,D | |
| Nilaparvata lugens | CYP6ER1VA | R,D |