2-methyl-2-heptanethiol (Q19903065)

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chemical compound

• 2-methyl-2-heptylmercaptan

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Language	Label	Description	Also known as
English	2-methyl-2-heptanethiol	chemical compound	2-methyl-2-heptylmercaptan

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

2-Methyl-2-heptanethiol.svg
450 × 135; 10 KB

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mass

146.112921576 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈H₁₈S

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canonical SMILES

CCCCCC(C)(C)S

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found in taxon

Juglans nigra

2 references

stated in

Headspace Constituents of FreshJuglans nigraL. Peels

stated in

Volatile Constituents of the Essential Oil of the Peels ofJuglans nigraL.

Identifiers

InChI

InChI=1S/C8H18S/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3

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InChIKey

KSTAKRCVPORMCA-UHFFFAOYSA-N

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CAS Registry Number

763-20-2

1 reference

InChIKey

KSTAKRCVPORMCA-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=763-20-2

PubChem CID

69810

1 reference

matched by identifier from

InChIKey

InChIKey

KSTAKRCVPORMCA-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL367042

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KSTAKRCVPORMCA-UHFFFAOYSA-N

UniChem compound ID

26475874

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP008744

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CAMEO Chemicals ID

24011

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DSSTox substance ID

DTXSID9075290

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

KSTAKRCVPORMCA-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID6047866

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UNII

SWR39B4RNK

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matched by identifier from

InChIKey

InChIKey

KSTAKRCVPORMCA-UHFFFAOYSA-N

Freebase ID

/m/01345tv7

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Sitelinks

Wikipedia(2 entries)

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• enwiki 2-Methyl-2-heptanethiol
• tawiki 2-மெத்தில்-2-எப்டேன் தயோல்

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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