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English
3-Methyl-2-thiophenecarboxaldehyde
chemical compound
3-Methylthiophene-2-carbaldehyde
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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
CC1=C(SC=C1)C=O
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr
Identifiers
InChI
InChI=1S/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3
0 references
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
0 references
CAS Registry Number
5834-16-2
1 reference
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5834-16-2
PubChem CID
79911
1 reference
matched by identifier from
InChIKey
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL447131
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
UniChem compound ID
18281381
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80207070
1 reference
matched by identifier from
InChIKey
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80129561
0 references
EC number
227-418-8
0 references
ECHA Substance Infocard ID
100.024.926
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.024.926
retrieved
29 December 2019
title
3-methylthiophene-2-carbaldehyde
(English)
quotation
CAS no.: 5834-16-2
(English)
KNApSAcK ID
C00062308
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
UNII
ZHC9WE8PS0
1 reference
matched by identifier from
InChIKey
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
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