isoprothiolane

Synonyms: "diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate", "di-isopropyl 1,3-dithiolane-2-ylidenemalonate", "bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate", "diisopropyl 1,3-dithiolan-2-ylidenemalonate", "Fuji-one", "dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate", "IPT","Fudiolan", "Fujione", "IPT", "Fuji 1", "NKK 100", "NNF-109".

Source: Isoprothiolane is a systemic fungicide.

Identifiers:

IUPAC Name: dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate
CAS Number: 50512-35-1
PubChem ID: 39681
InChiKey: UFHLMYOGRXOCSL-UHFFFAOYSA-N
Canonical SMILES: CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C

Structural Properties:

Molecular Formula: C₁₂H₁₈O₄S₂
Molecular Weight: 290.392

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 18

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3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Hisato MI, 1998. Effects of the agrochemicals butachlor, pretilachlor and isoprothiolane on rat liver xenobioticmetabolizing enzymes. Xenobiotica 28(11):1029-1039. DOI: 10.1080/004982598238921. URL: http://www.tandfonline.com/doi/abs/10.1080/004982598238921.
Oh YJ, Jung YJ, Kang JW, Yoo YS. 2007. Investigation of the estrogenic activities of pesticides from Pal-dang reservoir by in vitro assay. Sci Total Environ 388(1-3):8-15. DOI: 10.1016/j.scitotenv.2007.07.013. URL: https://www.sciencedirect.com/science/article/pii/S0048969707007541?via%3Dihub.