Pyrithiobac-Sodium
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Basic Info
Common Name | Pyrithiobac-Sodium(F05133) |
2D Structure | |
Description | Pyrithiobac-sodium is a post-emergence herbicide for the control of broad-leaved weeds in cotton and other crops. It has a high aqueous solubility, is non-volatile and, based on its chemical properties, it is very mobile and has high potential to leach to groundwater. It is generally moderately persistent in soil systems but tends to be non-persistent in aquatic systems. It has a low mammalian toxicity but may bioaccumulate. |
FRCD ID | F05133 |
CAS Number | 123343-16-8 |
PubChem CID | 23682187 |
Formula | C13H10ClN2NaO4S |
IUPAC Name | sodium;2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate |
InChI Key | CNILNQMBAHKMFS-UHFFFAOYSA-M |
InChI | InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1 |
Canonical SMILES | COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Na+] |
Isomeric SMILES | COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Na+] |
Synonyms | Pyrithiobac-sodium Pyrithiobac sodium 123343-16-8 Staple Staple 85SP Pyrithiobac-sodium [ISO] UNII-5M13LUJ9WY KIH 2031 DPX-PE 350 5M13LUJ9WY |
Classifies | Pesticide |
Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
Kingdom | Organic compounds |
Superclass | Benzenoids |
Class | Benzene and substituted derivatives |
Subclass | Benzoic acids and derivatives |
Intermediate Tree Nodes | Benzoic acids |
Direct Parent | 2-pyrimidinylthiobenzoic acids |
Alternative Parents |
|
Molecular Framework | Aromatic heteromonocyclic compounds |
Substituents | 2-pyrimidinylthiobenzoic acid - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Aryl thioether - Thiophenol ether - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid salt - Azacycle - Organic metal halide - Organic alkali metal salt - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organopnictogen compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic sodium salt - Organic oxide - Aromatic heteromonocyclic compound |
Description | This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring. |
Properties
Property Name | Property Value |
---|---|
Molecular Weight | 348.733 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 357 |
Monoisotopic Mass | 347.995 |
Exact Mass | 347.995 |
Formal Charge | 0 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Isotope Atom Count | 0 |
Covalently-Bonded Unit Count | 2 |
MRLs
Food | Product Code | Country | MRLs | Application Date | Notes |
---|---|---|---|---|---|
Other Poultry,Eggs | Japan | 0.02ppm | |||
Chicken,Eggs | Japan | 0.02ppm | |||
Other Poultry Animals,Edible Offal | Japan | 0.02ppm | |||
Chicken,Edible Offal | Japan | 0.02ppm | |||
Other Poultry Animals,Kidney | Japan | 0.02ppm | |||
Chicken,Kidney | Japan | 0.02ppm | |||
Other Poultry Animals,Liver | Japan | 0.02ppm | |||
Chicken,Liver | Japan | 0.02ppm | |||
Other Poultry Animals,Fat | Japan | 0.02ppm | |||
Chicken,Fat | Japan | 0.02ppm | |||
Other Poultry Animals,Muscle | Japan | 0.02ppm | |||
Chicken,Muscle | Japan | 0.02ppm | |||
Milk | Japan | 0.02ppm | |||
Other Terrestrial Mammals,Edible Offal | Japan | 0.02ppm | |||
Pig,Edible Offal | Japan | 0.02ppm | |||
Cattle,Edible Offal | Japan | 0.02ppm | |||
Other Terrestrial Mammals,Kidney | Japan | 0.02ppm | |||
Pig,Kidney | Japan | 0.02ppm | |||
Cattle,Kidney | Japan | 0.02ppm | |||
Other Terrestrial Mammals,Liver | Japan | 0.02ppm |