ethyl 3-methylthiopropionate (Q27159679)

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chemical compound

• ethyl 3-(methylthio)propionate
• Ethyl 3-(methylthio)propanoate
• Ethyl methyl mercaptopropionate
• Ethyl 3-methylmercaptopropionate
• 3-(methylthio)propanoic acid ethyl ester

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Language	Label	Description	Also known as
English	ethyl 3-methylthiopropionate	chemical compound	ethyl 3-(methylthio)propionate Ethyl 3-(methylthio)propanoate Ethyl methyl mercaptopropionate Ethyl 3-methylmercaptopropionate 3-(methylthio)propanoic acid ethyl ester

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Ethyl 3-(Methylthio)propionate.png
506 × 151; 3 KB

0 references

mass

148.056±0 dalton

1 reference

stated in

PubChem

PubChem CID

61592

language of work or name

English

title

Ethyl 3-(methylthio)propionate (English)

retrieved

18 November 2016

chemical formula

C₆H₁₂O₂S

1 reference

stated in

PubChem

PubChem CID

61592

language of work or name

English

title

Ethyl 3-(methylthio)propionate (English)

retrieved

18 November 2016

canonical SMILES

CCOC(=O)CCSC

1 reference

stated in

PubChem

PubChem CID

61592

language of work or name

English

title

Ethyl 3-(methylthio)propionate (English)

retrieved

18 November 2016

found in taxon

Cucumis melo

1 reference

stated in

3-Methylthiopropionic acid ethyl ester, isolated from Katsura-uri (Japanese pickling melon, Cucumis melo var. conomon), enhanced differentiation in human colon cancer cells

Cucumis melo var. conomon

1 reference

stated in

3-Methylthiopropionic acid ethyl ester, isolated from Katsura-uri (Japanese pickling melon, Cucumis melo var. conomon), enhanced differentiation in human colon cancer cells

Identifiers

InChI

InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

61592

language of work or name

English

title

Ethyl 3-(methylthio)propionate (English)

retrieved

18 November 2016

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

61592

language of work or name

English

title

Ethyl 3-(methylthio)propionate (English)

retrieved

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

13327-56-5

2 references

stated in

Global Substance Registration System

UNII

1AVT374NII

language of work or name

English

title

ethyl 3-methylthiopropionate (English)

retrieved

18 November 2016

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=13327-56-5

ChemSpider ID

55501

1 reference

stated in

ChemSpider

ChemSpider ID

55501

language of work or name

English

title

Ethyl 3-methylthiopropionate (English)

retrieved

18 November 2016

PubChem CID

61592

2 references

stated in

PubChem

PubChem CID

61592

language of work or name

English

title

Ethyl 3-(methylthio)propionate (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

Reaxys registry number

1748688

1 reference

stated in

ChEBI

ChEBI ID

87503

language of work or name

English

title

ethyl 3-methylthiopropionate (English)

retrieved

9 October 2016

ChEBI ID

87503

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

87503

language of work or name

English

title

ethyl 3-methylthiopropionate (English)

retrieved

9 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3

SureChEMBL ID

SCHEMBL1448036

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

UniChem compound ID

14910886

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID2065414

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0034142

0 references

NSC number

165650

0 references

EC number

236-370-7

1 reference

stated in

Global Substance Registration System

UNII

1AVT374NII

language of work or name

English

title

ethyl 3-methylthiopropionate (English)

retrieved

18 November 2016

ECHA Substance Infocard ID

100.033.050

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.033.050

retrieved

27 December 2018

title

Ethyl 3-(methylthio)propionate (English)

quotation

CAS no.: 13327-56-5 (English)

FL number

12.053

1 reference

quotation

CAS no.: 13327-56-5 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

12.053

AICS Chemical ID (BEING DELETED)

13477

0 references

Human Metabolome Database ID

HMDB0040413

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

UNII

1AVT374NII

2 references

stated in

Global Substance Registration System

UNII

1AVT374NII

language of work or name

English

title

ethyl 3-methylthiopropionate (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/11c5wlscy_

0 references

JECFA database ID

3210

0 references

JECFA number

476

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(1 entry)

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• jawiki 3-メチルチオプロピオン酸エチル

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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