isopropyl mercaptan (Q209470)

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chemical compound

• Isopropyl mercaptan
• 2-Propanethiol
• Isopropylthiol
• Isopropylmercaptan
• Isopropanethiol
• 2-Propylmercaptan
• 2-Mercaptopropane
• 1-Methylethanethiol

edit

Language	Label	Description	Also known as
English	isopropyl mercaptan	chemical compound	Isopropyl mercaptan 2-Propanethiol Isopropylthiol Isopropylmercaptan Isopropanethiol 2-Propylmercaptan 2-Mercaptopropane 1-Methylethanethiol

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Propane-2-thiol 200.svg
112 × 67; 7 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

76.035 dalton

1 reference

stated in

PubChem

PubChem CID

6364

language of work or name

English

title

2-Propanethiol (English)

retrieved

5 October 2016

chemical formula

C₃H₈S

1 reference

stated in

PubChem

PubChem CID

6364

language of work or name

English

title

2-Propanethiol (English)

retrieved

19 November 2016

canonical SMILES

CC(C)S

1 reference

stated in

PubChem

PubChem CID

6364

language of work or name

English

title

2-Propanethiol (English)

retrieved

19 November 2016

ionization energy

9.14 electronvolt

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

electric dipole moment

1.61 debye

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

melting point

−131.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−130.5 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

52.6 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

found in taxon

Allium cepa

1 reference

stated in

Comparison of onion varieties by headspace gas chromatography-mass spectrometry

Commons category

2-Propanethiol

0 references

Identifiers

InChI

InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

1 reference

stated in

PubChem

PubChem CID

6364

language of work or name

English

title

2-Propanethiol (English)

retrieved

19 November 2016

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6364

language of work or name

English

title

2-Propanethiol (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

75-33-2

2 references

stated in

Global Substance Registration System

UNII

E52LR62ETC

language of work or name

English

title

isopropyl mercaptan (English)

retrieved

19 November 2016

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=75-33-2

ChemSpider ID

6124

1 reference

stated in

ChemSpider

ChemSpider ID

6124

language of work or name

English

title

2-Propanethiol (English)

retrieved

19 November 2016

PubChem CID

6364

2 references

stated in

PubChem

PubChem CID

6364

language of work or name

English

title

2-Propanethiol (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

Reaxys registry number

605260

1 reference

stated in

ChEBI

ChEBI ID

8474

language of work or name

English

title

propane-2-thiol (English)

retrieved

5 October 2016

ChEBI ID

8474

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL1897156

language of work or name

English

title

CHEMBL1897156 (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

ChEMBL ID

CHEMBL1897156

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1897156

language of work or name

English

title

CHEMBL1897156 (English)

retrieved

19 November 2016

UniChem compound ID

1071598

1 reference

stated in

UniChem

SPLASH

splash10-002f-9000000000-3b7220df0a10878b4b25

0 references

NMRShiftDB structure ID

10016626

1 reference

matched by identifier from

InChIKey

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

CAMEO Chemicals ID

951

0 references

ZVG number

491067

0 references

HSDB ID

625

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

625

publication date

28 October 2019

title

ISOPROPYL MERCAPTAN (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID1025481

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID105481

0 references

NSC number

87537

0 references

EC number

200-861-4

1 reference

stated in

Global Substance Registration System

UNII

E52LR62ETC

language of work or name

English

title

isopropyl mercaptan (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.000.784

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.000.784

retrieved

27 December 2018

title

Propane-2-thiol (English)

quotation

CAS no.: 75-33-2 (English)

FL number

12.197

1 reference

quotation

CAS no.: 75-33-2 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

12.197

Human Metabolome Database ID

HMDB0031634

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

KNApSAcK ID

C00001268

3 references

stated in

ChEBI

ChEBI ID

8474

language of work or name

English

title

propane-2-thiol (English)

retrieved

5 October 2016

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

UNII

E52LR62ETC

2 references

stated in

Global Substance Registration System

UNII

E52LR62ETC

language of work or name

English

title

isopropyl mercaptan (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

KEGG ID

C08391

1 reference

stated in

ChEBI

ChEBI ID

8474

language of work or name

English

title

propane-2-thiol (English)

retrieved

5 October 2016

Google Knowledge Graph ID

/g/120s1khb

0 references

JECFA database ID

3588

0 references

JECFA number

510

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(6 entries)

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• dewiki 2-Propanthiol
• elwiki Προπανοθειόλη-2
• enwiki Isopropyl mercaptan
• eowiki Izopropanotiolo
• itwiki 2-propantiolo
• zhwiki 異丙硫醇

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:2-Propanethiol

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