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

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ChEBI Name	4-[(2-aminophenyl)thio]butylphosphonic acid

ChEBI ID	CHEBI:219815

Definition	A phosphonic acid having a 4-[(2-aminophenyl)thio]butyl attached to the phosphorus; reported to have herbicidal properties.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44527

Supplier Information

Download	Molfile XML SDF

Formula

C10H16NO3PS

Net Charge

Average Mass

261.27800

Monoisotopic Mass

261.05885

InChI

InChI=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)

InChIKey

POZPBCXLYRZUTO-UHFFFAOYSA-N

SMILES

Nc1ccccc1SCCCCP(O)(O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	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 acid	ChEBI

Registry Number	Type	Source
8326041	Reaxys Registry Number	Reaxys

Citation	Type	Source
10476857	PubMed citation	ChEMBL

Last Modified

13 March 2018