4-bromothiophenol (Q22829169)

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chemical compound

• p-bromothiophenol
• para-bromothiophenol

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Language	Label	Description	Also known as
English	4-bromothiophenol	chemical compound	p-bromothiophenol para-bromothiophenol

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

4-bromothiophenol.svg
340 × 205; 6 KB

0 references

mass

187.93±0 dalton

1 reference

stated in

PubChem

PubChem CID

66049

language of work or name

English

title

4-Bromothiophenol (English)

retrieved

19 October 2016

chemical formula

C₆H₅BrS

1 reference

stated in

PubChem

PubChem CID

66049

language of work or name

English

title

4-Bromothiophenol (English)

retrieved

19 October 2016

canonical SMILES

C1=CC(=CC=C1S)Br

1 reference

stated in

PubChem

PubChem CID

66049

language of work or name

English

title

4-Bromothiophenol (English)

retrieved

19 October 2016

melting point

75.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H

1 reference

stated in

PubChem

PubChem CID

66049

language of work or name

English

title

4-Bromothiophenol (English)

retrieved

19 October 2016

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

66049

language of work or name

English

title

4-Bromothiophenol (English)

retrieved

19 October 2016

CAS Registry Number

106-53-6

2 references

stated in

Global Substance Registration System

UNII

P3WUO03X17

language of work or name

English

title

4-bromothiophenol (English)

retrieved

19 October 2016

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=106-53-6

ChemSpider ID

59439

1 reference

stated in

ChemSpider

ChemSpider ID

59439

language of work or name

English

title

4-Bromothiophenol (English)

retrieved

19 October 2016

PubChem CID

66049

2 references

stated in

PubChem

PubChem CID

66049

language of work or name

English

title

4-Bromothiophenol (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

ChEMBL ID

CHEMBL278240

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL278240

language of work or name

English

title

CHEMBL278240 (English)

retrieved

19 October 2016

SureChEMBL ID

SCHEMBL17193

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

UniChem compound ID

393330

1 reference

stated in

UniChem

NMRShiftDB structure ID

20200743

1 reference

matched by identifier from

InChIKey

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

ZVG number

101650

0 references

DSSTox substance ID

DTXSID8059340

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID5032995

0 references

NSC number

32018

0 references

EC number

203-407-3

1 reference

stated in

Global Substance Registration System

UNII

P3WUO03X17

language of work or name

English

title

4-bromothiophenol (English)

retrieved

19 October 2016

ECHA Substance Infocard ID

100.003.099

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.099

retrieved

27 December 2018

title

4-bromobenzenethiol (English)

quotation

CAS no.: 106-53-6 (English)

UNII

P3WUO03X17

2 references

stated in

Global Substance Registration System

UNII

P3WUO03X17

language of work or name

English

title

4-bromothiophenol (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

PDB ligand ID

2XE

0 references

PDB structure ID

4Q03

1 reference

stated in

Protein Data Bank

PDB structure ID

4Q03

language of work or name

English

title

4Q03 (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(2 entries)

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• enwiki 4-Bromothiophenol
• tawiki 4-புரோமோதயோபீனால்

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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