skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > isothiocyanate > butyl isothiocyanate

Preferred term

butyl isothiocyanate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C5H9NS

has_role

inchi

  • InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3

inchikey

  • LIMQQADUEULBSO-UHFFFAOYSA-N

mass

  • 115.19770

monoisotopicmass

  • 115.04557

smiles

  • CCCCN=C=S

subset

  • 3_STAR

synonym EXACT

  • 1-isothiocyanatobutane

synonym RELATED

  • BITC
  • BuNCS
  • butyl mustard oil
  • Butylsenfoel
  • isothiocyanic acid, butyl ester
  • isothiocyanic acid n-butyl ester
  • n-butyl isothiocyanate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:50534

Download this concept:

RDF/XML TURTLE JSON-LD