(Q82948243)

English

4-Isothiocyanato-1-(methylsulfanyl)but-1-ene

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

159.017641288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆H₉NS₂

0 references

canonical SMILES

S=C=NCCC=CSC

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found in taxon

radish

4 references

stated in

4-(Methylthio)-3-butenyl isothiocyanate, a principal antimutagen in daikon (Raphanus sativus; Japanese white radish).

stated in

Isolation and Identification of a Novelβ-Carboline Derivative in Salted Radish Roots,Raphanus sativusL.

stated in

Phytochemical composition and biological activity of 8 varieties of radish (Raphanus sativus L.) sprouts and mature taproots

stated in

Isolation and identification of a novel .BETA.-carboline derivative in salted radish roots, Raphanus sativus L.

Identifiers

InChI

InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3

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InChIKey

RYSPJKHYSHFYEB-UHFFFAOYSA-N

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CAS Registry Number

51598-96-0

1 reference

InChIKey

RYSPJKHYSHFYEB-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=51598-96-0

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RYSPJKHYSHFYEB-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

RYSPJKHYSHFYEB-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID101393574

0 references

(Q82948243)

4-Isothiocyanato-1-(methylsulfanyl)but-1-ene

Statements

Identifiers

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