Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:81941 - prosulfocarb
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
prosulfocarb
ChEBI ID
CHEBI:81941
Definition
A monothiocarbamic ester that is carbamothioic
S
-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C14H21NOS
Net Charge
0
Average Mass
251.38800
Monoisotopic Mass
251.13439
InChI
InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKey
NQLVQOSNDJXLKG-UHFFFAOYSA-N
SMILES
CCCN(CCC)C(=O)SCc1ccccc1
Roles Classification
Chemical Role
(s):
environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role
(s):
xenobiotic
A xenobiotic (Greek,
xenos
"foreign";
bios
"life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application
(s):
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
prosulfocarb (
CHEBI:81941
)
has role
environmental contaminant (
CHEBI:78298
)
prosulfocarb (
CHEBI:81941
)
has role
herbicide (
CHEBI:24527
)
prosulfocarb (
CHEBI:81941
)
has role
xenobiotic (
CHEBI:35703
)
prosulfocarb (
CHEBI:81941
)
is a
benzenes (
CHEBI:22712
)
prosulfocarb (
CHEBI:81941
)
is a
monothiocarbamic ester (
CHEBI:38128
)
IUPAC Name
S
-benzyl dipropylcarbamothioate
Manual Xrefs
Databases
557
PPDB
C18760
KEGG COMPOUND
prosulfocarb
Alan Wood's Pesticides
US2011152098
Patent
WO2011075562
Patent
View more database links
Registry Numbers
Types
Sources
4804364
Reaxys Registry Number
Reaxys
52888-80-9
CAS Registry Number
KEGG COMPOUND
52888-80-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23180504
PubMed citation
Europe PMC
23423954
PubMed citation
Europe PMC
Last Modified
14 November 2014