4-mercaptobenzoic acid (Q72488478)

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chemical compound

• 4-sulfanylbenzoic acid

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Language	Label	Description	Also known as
English	4-mercaptobenzoic acid	chemical compound	4-sulfanylbenzoic acid

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

4-mercaptobenzoic acid.svg
420 × 280; 7 KB

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mass

154.008850432 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₆O₂S

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canonical SMILES

C1=CC(=CC=C1C(=O)O)S

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Identifiers

InChI

InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)

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InChIKey

LMJXSOYPAOSIPZ-UHFFFAOYSA-N

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CAS Registry Number

1074-36-8

1 reference

InChIKey

LMJXSOYPAOSIPZ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=1074-36-8

PubChem CID

95738

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SureChEMBL ID

SCHEMBL40593

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LMJXSOYPAOSIPZ-UHFFFAOYSA-N

UniChem compound ID

188501

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID40148036

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DSSTOX compound identifier

DTXCID5070527

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NSC number

32022

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EC number

600-825-1

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.121.577

retrieved

29 December 2019

title

4-sulfanylbenzoic acid (English)

quotation

CAS no.: 1074-36-8 (English)

ECHA Substance Infocard ID

100.121.577

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.121.577

retrieved

29 December 2019

title

4-sulfanylbenzoic acid (English)

quotation

CAS no.: 1074-36-8 (English)

Human Metabolome Database ID

HMDB0246485

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LMJXSOYPAOSIPZ-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/11h59s9hb1

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Sitelinks

Wikipedia(1 entry)

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• jawiki 4-メルカプト安息香酸

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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