Sultropen

Synonyms: 2,4-dinitro-1-(pentylsulfonyl)benzene

Source: Sultropen is a fungicide.

Identifiers:

IUPAC Name: 2,4-dinitro-1-pentylsulfonylbenzene
CAS Number: 963-22-4
PubChem ID: 13226549
InChiKey: PTWBGBDKDZWGCL-UHFFFAOYSA-N
Canonical SMILES: CCCCCS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₁₁H₁₄N₂O₆S
Molecular Weight: 302,310

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 20

Downloads

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

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure