MedKoo Cat#: 126289 | Name: Pyrithiobac

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Pyrithiobac sodium (also known as PE350) is a carboxyphenylthiodimethoxypyrimidine derivative as herbicide and commercialized for uses in cotton cultivation

Chemical Structure

Pyrithiobac
Pyrithiobac
CAS#123342-93-8 (free acid)

Theoretical Analysis

MedKoo Cat#: 126289

Name: Pyrithiobac

CAS#: 123342-93-8 (free acid)

Chemical Formula: C13H11ClN2O4S

Exact Mass: 326.0128

Molecular Weight: 326.75

Elemental Analysis: C, 47.79; H, 3.39; Cl, 10.85; N, 8.57; O, 19.59; S, 9.81

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
Pyrithiobac; PYRITHIOBAC [ISO]; PYRITHIOBAC [MI]
IUPAC/Chemical Name
2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoic acid
InChi Key
QEGVVEOAVNHRAA-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H11ClN2O4S/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)
SMILES Code
COC1=CC(OC)=NC(SC2=C(C(O)=O)C(Cl)=CC=C2)=N1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 326.75 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Yu H, Guo X, Peng L, Li X, Chen J, Cui H. Target gene mutations endowed cross-resistance to acetolactate synthase-inhibiting herbicides in wild Brassica juncea. Pestic Biochem Physiol. 2023 Dec;197:105683. doi: 10.1016/j.pestbp.2023.105683. Epub 2023 Nov 4. PMID: 38072540. 2: Sharma AK, Wen L, Hall LR, Allan JG, Clark BJ. Metabolism of Pyrithiobac Sodium in Soils and Sediment, Addressing Bound Residues via Kinetics Modeling. J Agric Food Chem. 2016 Jul 27;64(29):5793-802. doi: 10.1021/acs.jafc.6b02073. Epub 2016 Jul 13. PMID: 27379773. 3: Wang S, Beasley HL, Sumpter SR, Kennedy IR. Validation of pyrithiobac sodium (Staple herbicide) ELISA for Australian cotton soils. J Environ Sci Health B. 2003 May;38(3):281-91. doi: 10.1081/PFC-120019895. PMID: 12716046. 4: Baskaran S, Kennedy IR. Sorption and desorption kinetics of diuron, fluometuron, prometryn and pyrithiobac sodium in soils. J Environ Sci Health B. 1999 Nov;34(6):943-63. doi: 10.1080/03601239909373238. PMID: 10565420. 5: Zhao B, Xu X, Li B, Qi Z, Huang J, Hu A, Wang G, Liu X. Target-site mutation and enhanced metabolism endow resistance to nicosulfuron in a Digitaria sanguinalis population. Pestic Biochem Physiol. 2023 Aug;194:105488. doi: 10.1016/j.pestbp.2023.105488. Epub 2023 Jun 6. PMID: 37532350. 6: Matzrafi M, Lazar TW, Sibony M, Rubin B. Conyza species: distribution and evolution of multiple target-site herbicide resistances. Planta. 2015 Jul;242(1):259-67. doi: 10.1007/s00425-015-2306-4. Epub 2015 Apr 26. PMID: 25912190. 7: Tehranchian P, Norsworthy JK, Nandula V, McElroy S, Chen S, Scott RC. First report of resistance to acetolactate-synthase-inhibiting herbicides in yellow nutsedge (Cyperus esculentus): confirmation and characterization. Pest Manag Sci. 2015 Sep;71(9):1274-80. doi: 10.1002/ps.3922. Epub 2014 Nov 10. PMID: 25307777.