Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Methoxybenzyl isothiocyanate
RN: 75272-77-4
UNII: J711Q1ZGCA
InChIKey: SSSDJJXWAVRNCM-UHFFFAOYSA-N

Note

  • Occurs in cruciferous vegetables; metabolite of glucolimnanthin; may inhibit carcinogenesis by B(a)P.

Molecular Formula

  • C9-H9-N-O-S

Molecular Weight

  • 179.242
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Methoxybenzyl isothiocyanate

Synonyms

  • m-Methoxybenzylisothiocyanate
  • UNII-J711Q1ZGCA

Systematic Name

  • Benzene, 1-(isothiocyanatomethyl)-3-methoxy-

Registry Numbers

CAS Registry Number

  • 75272-77-4

FDA UNII

  • J711Q1ZGCA

System Generated Number

  • 0075272774

Structure Descriptors

InChI

1S/C9H9NOS/c1-11-9-4-2-3-8(5-9)6-10-7-12/h2-5H,6H2,1H3

InChIKey

SSSDJJXWAVRNCM-UHFFFAOYSA-N

Smiles

c1ccc(cc1OC)CN=C=S