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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8N2S
Molecular Weight 116.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLYLTHIOUREA

SMILES

NC(=S)NCC=C

InChI

InChIKey=HTKFORQRBXIQHD-UHFFFAOYSA-N
InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)

HIDE SMILES / InChI

Molecular Formula C4H8N2S
Molecular Weight 116.185
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Metabolic inhibitor. Selective inhibitor of ammonia oxidation. Probably acts through chelating the copper of the ammonia monooxygenase active site.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: copper of the ammonia monooxygenase active site
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Dinitrogen oxide detection for process failure early warning systems.
2002
Provings and magic.
2002 Apr
Effects of dental resin metabolites on estrogenic activity in vitro.
2003 Apr
A critical comparison of respirometric biodegradation tests based on OECD 301 and related test methods.
2003 Apr
Accelerated degradation of methyl iodide by agrochemicals.
2003 Jan 29
Construction of a reactive surface barrier to reduce fumigant 1,3-dichloropropene emissions.
2005 Aug
Changes in the biochemical oxygen demand procedure in the 21st edition of Standard Methods for the Examination of Water and Wastewater.
2005 Jul-Aug
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Chemical nitrite oxidation in acid solutions as a consequence of microbial ammonium oxidation.
2005 Jun 1
A rapid and simple respirometric biosensor with immobilized cells of Nitrosomonas europaea for detecting inhibitors of ammonia oxidation.
2005 Mar 15
Production of soluble methane monooxygenase during growth of Methylosinus trichosporium on methanol.
2009 Jan 1
Nitrification inhibition activity, a novel trait in root exudates of rice.
2010
Kinetic parameters and inhibition response of ammonia- and nitrite-oxidizing bacteria in membrane bioreactors and conventional activated sludge processes.
2010 Dec 14
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:34:00 GMT 2023
Edited
by admin
on Sat Dec 16 17:34:00 GMT 2023
Record UNII
706IDJ14B7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLYLTHIOUREA
INN   WHO-DD  
INN  
Official Name English
Allylthiourea [WHO-DD]
Common Name English
THIOSINAMINUM
HPUS  
Common Name English
THIOSINAMINE
MI  
Systematic Name English
THIOSINAMINE [MI]
Common Name English
allylthiourea [INN]
Common Name English
THIOSINAMINUM [HPUS]
Common Name English
NSC-1915
Code English
1-ALLYL-2-THIOUREA
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C45175
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C80237
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
FDA UNII
706IDJ14B7
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
MESH
C009842
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
RXCUI
1318494
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY RxNorm
DAILYMED
706IDJ14B7
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
CHEBI
74079
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
EVMPD
SUB05341MIG
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
INN
4584
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
NSC
1915
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID3024449
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
CAS
109-57-9
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
ChEMBL
CHEMBL1451910
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
PUBCHEM
1549517
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-683-5
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
SMS_ID
100000087458
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
MERCK INDEX
m10785
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY Merck Index
Related Record Type Details
ACTIVE MOIETY