(Q27291030)

5-METHYL-2-THIOPHENECARBOXALDEHYDE (English)

14 October 2016

chemical formula

C₆H₆OS

1 reference

5-METHYL-2-THIOPHENECARBOXALDEHYDE (English)

14 October 2016

canonical SMILES

CC1=CC=C(S1)C=O

1 reference

A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr

5-METHYL-2-THIOPHENECARBOXALDEHYDE (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

1 reference

5-METHYL-2-THIOPHENECARBOXALDEHYDE (English)

14 October 2016

1 reference

Global Substance Registration System

5-METHYL-2-THIOPHENECARBOXALDEHYDE (English)

14 October 2016

2 references

5-methyl-2-thiophenecarboxaldehyde (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=13679-70-4

9 April 2021

1 reference

5-Methyl-2-thenaldehyde (English)

14 October 2016

2 references

5-METHYL-2-THIOPHENECARBOXALDEHYDE (English)

14 October 2016

ChEBI ID

179842

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

1 reference

CHEMBL3186212 (English)

14 October 2016

2 references

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20045959

1 reference

DSSTox substance ID

DTXSID0047169

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

237-178-6

1 reference

Global Substance Registration System

5-methyl-2-thiophenecarboxaldehyde (English)

ECHA Substance Infocard ID

14 October 2016

100.033.784

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.033.784

27 December 2018

AICS Chemical ID (BEING DELETED)

5-methylthiophene-2-carbaldehyde (English)

quotation

CAS no.: 13679-70-4 (English)

FL number

15.004

1 reference

quotation

CAS no.: 13679-70-4 (English)

23 January 2021

15.004

13662

0 references

Human Metabolome Database ID

HMDB0032431

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00059756

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

5-methyl-2-thiophenecarboxaldehyde (English)

14 October 2016

Probes And Drugs ID

PD157940

0 references

JECFA number

1050

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)