Record Information
Version1.0
Creation date2015-10-09 22:32:01 UTC
Update date2017-01-19 02:36:33 UTC
FoodComEx IDPC000699
FoodDB RecordFDB013883
Chemical Information
NameThiocyanic acid
DescriptionPresent in Cruciferae e.g. Brassica subspecies [DFC] Thiocyanic acid is a chemical compound with the formula HSCN that exists as a mixture with the isomeric compound isothiocyanic acid (HNCS). It is the sulfur analog of cyanic acid (HOCN). [Wikipedia]. Thiocyanic acid is found in brassicas.
CAS Number302-04-5
Structure
Thumb
Synonyms
SynonymSource
[S-C#N](-)ChEBI
Ammonium sulfocyanateHMDB
HSCNHMDB
Hydrogen thiocyanatedb_source
N#C-S(-)ChEBI
NitridosulfanidocarbonHMDB
RhodanidChEBI
RhodanideChEBI
SCNHMDB
SCN(-)ChEBI
Silver thiocyanate agscnHMDB
Sulfocyanic aciddb_source
Thallium thiocyanateHMDB
ThiocyanateChEBI
THIOCYANATE ionChEBI
Thiocyanate ion (1-)ChEBI
THIOCYANic acid ionGenerator
Thiocyanic acid ion (1-)Generator
ThiocyanidHMDB
ThiozyanatChEBI
Weedazol tlHMDB
Chemical FormulaCHNS
IUPAC namesulfanylformonitrile
InChI IdentifierInChI=1S/CHNS/c2-1-3/h3H
InChI KeyZMZDMBWJUHKJPS-UHFFFAOYSA-N
Isomeric SMILESSC#N
Average Molecular Weight59.09
Monoisotopic Molecular Weight58.982969727
Chemical Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as thiocyanates. These are salts or esters of thiocyanic acid, with the general formula RSC#N (R=alkyl, aryl).
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganosulfur compounds
Sub ClassThiocyanates
Direct ParentThiocyanates
Alternative Parents
Substituents
  • Thiocyanate
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp -110°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 400 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available