(Q72435453)

English

2-Acetyl-3-methylthiophene

chemical compound

1-(3-Methyl-2-thienyl)ethan-1-one

In more languages

Statements

type of chemical entity

0 references

chemical compound

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140.029585876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇H₈OS

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canonical SMILES

CC1=C(SC=C1)C(=O)C

0 references

1 reference

New volatile components of roasted coffee

Identifiers

InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3

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YBJDKNXEWQSGEL-UHFFFAOYSA-N

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CAS Registry Number

1 reference

YBJDKNXEWQSGEL-UHFFFAOYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=13679-72-6

1 reference

matched by identifier from

YBJDKNXEWQSGEL-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

YBJDKNXEWQSGEL-UHFFFAOYSA-N

DSSTOX compound identifier

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237-179-1

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ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

29 December 2019

1-(3-methyl-2-thienyl)ethan-1-one (English)

CAS no.: 13679-72-6 (English)

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

YBJDKNXEWQSGEL-UHFFFAOYSA-N

1 reference

matched by identifier from

YBJDKNXEWQSGEL-UHFFFAOYSA-N

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