molinate

Synonyms: "ordram", "jalan", "S-ethyl azepane-1-carbothioate", "higalnate", "molmate", "sakkimol", "hydram", "felan"

Source: molinate is a selective thiocarbamate herbicide used to control broad-leaved and grassy plants in rice and other crops.

Identifiers:

IUPAC Name: S-ethyl azepane-1-carbothioate
CAS Number: 2212-67-1
PubChem ID: 16653
InChiKey: DEDOPGXGGQYYMW-UHFFFAOYSA-N
Canonical SMILES: CCSC(=O)N1CCCCCC1

Structural Properties:

Molecular Formula: C9H17NOS
Molecular Weight: 187,302

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 12

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Jewell WT, Hess RA, Miller MG. 1998. Testicular toxicity of molinate in the rat - metabolic activation via sulfoxidation. Toxicol Appl Pharmacol 149(2):159-166.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer