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CHEBI:219815 - 4-[(2-aminophenyl)thio]butylphosphonic acid

ChEBI IDCHEBI:219815
ChEBI Name4-[(2-aminophenyl)thio]butylphosphonic acid
Stars
DefinitionA phosphonic acid having a 4-[(2-aminophenyl)thio]butyl attached to the phosphorus; reported to have herbicidal properties.
Secondary ChEBI IDCHEBI:44527
Last Modified13 March 2018
DownloadsMolfile
FormulaC10H16NO3PS
Net Charge0
Average Mass261.283
Monoisotopic Mass261.05885
SMILESNc1ccccc1SCCCCP(=O)(O)O
InChIInChI=1S/C10H16NO3PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-2,5-6H,3-4,7-8,11H2,(H2,12,13,14)
InChIKeyPOZPBCXLYRZUTO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 4.2.1.20 (tryptophan synthase) inhibitor  An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of tryptophan synthase (EC 4.2.1.20).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
4-[(2-aminophenyl)thio]butylphosphonic acid (CHEBI:219815) has role EC 4.2.1.20 (tryptophan synthase) inhibitor (CHEBI:60688)
4-[(2-aminophenyl)thio]butylphosphonic acid (CHEBI:219815) has role herbicide (CHEBI:24527)
4-[(2-aminophenyl)thio]butylphosphonic acid (CHEBI:219815) is a organic sulfide (CHEBI:16385)
4-[(2-aminophenyl)thio]butylphosphonic acid (CHEBI:219815) is a phosphonic acids (CHEBI:26069)
4-[(2-aminophenyl)thio]butylphosphonic acid (CHEBI:219815) is a substituted aniline (CHEBI:48975)
IUPAC Name 
{4-[(2-aminophenyl)sulfanyl]butyl}phosphonic acid
Synonym  Source
4-(2-aminophenylthio)-butylphosphonic acidChEBI
Manual XrefsDatabases
US5635449Patent
Registry NumbersSources
Reaxys:8326041Reaxys
Citations