(Q67879620)

English

4-phenylbutylisothiocyanate

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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191.076870416 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₃NS

0 references

canonical SMILES

C1=CC=C(C=C1)CCCCN=C=S

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Identifiers

InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

0 references

CCBQOLFAKKAMLD-UHFFFAOYSA-N

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CAS Registry Number

1 reference

CCBQOLFAKKAMLD-UHFFFAOYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=61499-10-3

1 reference

matched by identifier from

CCBQOLFAKKAMLD-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CCBQOLFAKKAMLD-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

2 references

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

matched by identifier from

CCBQOLFAKKAMLD-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CCBQOLFAKKAMLD-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CCBQOLFAKKAMLD-UHFFFAOYSA-N

Probes And Drugs ID

0 references

Sitelinks

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Multilingual sites(0 entries)

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