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:39380 - (
E
)-buprofezin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
E
)-buprofezin
ChEBI ID
CHEBI:39380
ChEBI ASCII Name
(E)-buprofezin
Definition
A 2-(
tert
-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has
E
configuration.
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
more structures >>
Molfile
Formula
C16H23N3OS
Net Charge
0
Average Mass
305.440
Monoisotopic Mass
305.15618
InChI
InChI=1S/C16H23N3OS/c1-
12(2)
19-
14(17-
16(3,4)
5)
21-
11-
18(15(19)
20)
13-
9-
7-
6-
8-
10-
13/h6-
10,12H,11H2,1-
5H3/b17-
14+
InChIKey
PRLVTUNWOQKEAI-SAPNQHFASA-N
SMILES
S/1CN(C=2C=CC=CC2)C(=O)N(\C1=N/C(C)(C)C)C(C)C
ChEBI Ontology
Outgoing
(
E
)-buprofezin (
CHEBI:39380
)
is a
2-(
tert
-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (
CHEBI:3218
)
IUPAC Name
(2
E
)-2-(
tert
-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
Synonym
Source
(2
E
)-2-(
tert
-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
IUPAC
Registry Number
Type
Source
8324923
Beilstein Registry Number
Beilstein
Last Modified
28 November 2016
General Comment
2016-11-26
The name "buprofezin" was originally approved for a mixture of (
E
)- and (
Z
)-isomers [69327-76-0], but in 2008 the sponsor determined that the substance contains only the (
Z
)-isomer and requested that the definition be changed.