Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q72435882)
Watch
English
3-Acetylthiophene
chemical compound
Methyl 3-thienyl ketone
In more languages
edit
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
126.013935812
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₆OS
0 references
canonical SMILES
CC(=O)C1=CSC=C1
0 references
melting point
60.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
found in taxon
Coffea arabica
1 reference
stated in
New volatile components of roasted coffee
Identifiers
InChI
InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
0 references
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
0 references
CAS Registry Number
1468-83-3
1 reference
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1468-83-3
PubChem CID
15116
1 reference
matched by identifier from
InChIKey
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
ChEBI ID
179840
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
SureChEMBL ID
SCHEMBL10425
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
UniChem compound ID
3018880
1 reference
stated in
UniChem
NMRShiftDB structure ID
20209233
1 reference
matched by identifier from
InChIKey
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
DSSTox substance ID
DTXSID10163498
1 reference
matched by identifier from
InChIKey
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2085989
0 references
EC number
215-996-4
0 references
ECHA Substance Infocard ID
100.014.543
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.014.543
retrieved
29 December 2019
title
Methyl 3-thienyl ketone
(English)
quotation
CAS no.: 1468-83-3
(English)
Human Metabolome Database ID
HMDB0033134
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
UNII
XB5SQX2RBW
1 reference
matched by identifier from
InChIKey
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
Sitelinks
Wikipedia
(0 entries)
edit
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit
