Molecule ID: 62097

IUPAC Name: 3-iodoprop-2-ynyl N-butylcarbamate

Description: The molecule is a carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products. It has a role as a xenobiotic, an environmental contaminant and an antifungal agrochemical. It is a carbamate ester, an organoiodine compound, an acetylenic compound and a carbamate fungicide.

SMILES: CCCCN=C(O)OCC#CI

SELFIES: [C][C][C][C][N][=C][Branch1][C][O][O][C][C][#C][I]

InChI: InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 2.1