phenyl isothiocyanate (Q422311)

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chemical compound

• Benzene-1-isothiocyanate
• Isothiocyanic acid phenyl ester
• Phenyl mustard oil
• PITC

edit

Language	Label	Description	Also known as
English	phenyl isothiocyanate	chemical compound	Benzene-1-isothiocyanate Isothiocyanic acid phenyl ester Phenyl mustard oil PITC

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Phenyl-isothiocyanate-2D-skeletal.png
1,100 × 595; 15 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

135.014 dalton

1 reference

stated in

PubChem

PubChem CID

7673

language of work or name

English

title

PHENYL ISOTHIOCYANATE (English)

retrieved

19 October 2016

chemical formula

C₇H₅NS

1 reference

stated in

PubChem

PubChem CID

7673

language of work or name

English

title

PHENYL ISOTHIOCYANATE (English)

retrieved

19 November 2016

canonical SMILES

C1=CC=C(C=C1)N=C=S

1 reference

stated in

PubChem

PubChem CID

7673

language of work or name

English

title

PHENYL ISOTHIOCYANATE (English)

retrieved

19 November 2016

melting point

−21 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Commons category

Phenyl isothiocyanate

0 references

Identifiers

InChI

InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H

1 reference

stated in

PubChem

PubChem CID

7673

language of work or name

English

title

PHENYL ISOTHIOCYANATE (English)

retrieved

19 November 2016

InChIKey

QKFJKGMPGYROCL-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

7673

language of work or name

English

title

PHENYL ISOTHIOCYANATE (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

103-72-0

2 references

stated in

Global Substance Registration System

UNII

0D58F84LSU

language of work or name

English

title

phenyl isothiocyanate (English)

retrieved

19 November 2016

InChIKey

QKFJKGMPGYROCL-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=103-72-0

ChemSpider ID

7390

1 reference

stated in

ChemSpider

ChemSpider ID

7390

language of work or name

English

title

Phenyl isothiocyanate (English)

retrieved

19 November 2016

PubChem CID

7673

1 reference

stated in

PubChem

PubChem CID

7673

language of work or name

English

title

PHENYL ISOTHIOCYANATE (English)

retrieved

19 November 2016

Reaxys registry number

471392

1 reference

stated in

ChEBI

ChEBI ID

85103

language of work or name

English

title

phenyl isothiocyanate (English)

retrieved

19 October 2016

ChEBI ID

85103

mapping relation type

exact match

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL309036

language of work or name

English

title

PHENYLISOTHIOCYANATE (English)

retrieved

19 November 2016

ChEMBL ID

CHEMBL309036

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL309036

language of work or name

English

title

PHENYLISOTHIOCYANATE (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL20984

1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

356585

1 reference

stated in

UniChem

ZVG number

27070

1 reference

imported from Wikimedia project

German Wikipedia

DSSTox substance ID

DTXSID0021129

1 reference

stated in

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

DSSTOX compound identifier

DTXCID501129

0 references

NSC number

5583

0 references

EC number

203-138-1

1 reference

stated in

Global Substance Registration System

UNII

0D58F84LSU

language of work or name

English

title

phenyl isothiocyanate (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.002.853

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.853

retrieved

27 December 2018

title

Phenyl isothiocyanate (English)

quotation

CAS no.: 103-72-0 (English)

AICS Chemical ID (BEING DELETED)

2502

0 references

RxNorm ID

1368174

1 reference

stated in

Global Substance Registration System

UNII

0D58F84LSU

language of work or name

English

title

phenyl isothiocyanate (English)

retrieved

19 November 2016

Human Metabolome Database ID

HMDB0253699

1 reference

based on heuristic

inferred from InChIKey

UNII

0D58F84LSU

1 reference

stated in

Global Substance Registration System

UNII

0D58F84LSU

language of work or name

English

title

phenyl isothiocyanate (English)

retrieved

19 November 2016

Probes And Drugs ID

PD139353

0 references

IEDB Epitope ID

243755

1 reference

stated in

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

243755

retrieved

1 March 2022

PDB ligand ID

FTE

0 references

Freebase ID

/m/03crh66

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

2778486006

0 references

OpenAlex ID

C2778486006

1 reference

stated in

OpenAlex

retrieved

26 January 2022

reference URL

https://docs.openalex.org/download-snapshot/snapshot-data-format

PDB structure ID

3Q9K

1 reference

stated in

Protein Data Bank

PDB structure ID

3Q9K

language of work or name

English

title

3Q9K (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(12 entries)

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• azbwiki فنیل ایزوتیوسیانات
• dewiki Phenylisothiocyanat
• enwiki Phenyl isothiocyanate
• eowiki Fenila izotiocianato
• fawiki فنیل ایزوتیوسیانات
• fiwiki Fenyyli-isotiosyanaatti
• itwiki Isotiocianato di fenile
• jawiki フェニルイソチオシアネート
• shwiki Fenil izotiocijanat
• srwiki Fenil izotiocijanat
• tawiki பீனைல் ஐசோதயோசயனேட்டு
• zhwiki 异硫氰酸苯酯

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(1 entry)

edit

• commonswiki Category:Phenyl isothiocyanate

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