tribufos

Synonyms: "butyl phosphorotrithioate", "butifos", "merphos oxide", "S,S,S-tributyl trithiophosphate", "S,S,S-tributyl phosphorotriothioate", "butiphos", "fossfall"

Source: tribufos is an organophosphate defoliant used for cotton crops.

Identifiers:

IUPAC Name: 1-bis(butylsulfanyl)phosphorylsulfanylbutane
CAS Number: 78-48-8
PubChem ID: 5125
InChiKey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N
Canonical SMILES: CCCCSP(=O)(SCCCC)SCCCC

Structural Properties:

Molecular Formula: C₁₂H₂₇OPS₃
Molecular Weight: 314.511

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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

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

Quistad GB, Nomura DK, Sparks SE, Segall Y, Casida JE. 2002. Cannabinoid CB1 receptor as a target for chlorpyrifos oxon and other organophosphorus pesticides. Toxicol Lett 135(1-2):89-93, DOI: 10.1016/S0378-4274(02)00251-5.