Record Information
Version1.0
Creation date2015-10-09 22:28:43 UTC
Update date2017-01-19 02:36:13 UTC
FoodComEx IDPC000132
FoodDB RecordFDB008424
Chemical Information
NameThiamine
DescriptionThiamine is an essential vitamin. It is found in many foods, some of which are atlantic croaker, wonton wrapper, cereals and cereal products, and turmeric.
CAS Number70-16-6
Structure
Thumb
Synonyms
SynonymSource
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium(1+), 9CI, 8CIdb_source
Aneurinedb_source
Antiberiberi factorbiospider
Biaminebiospider
Oryzanindb_source
Thiaminbiospider
Torulindb_source
Vitamin B1db_source
Vitaneurindb_source
Chemical FormulaC12H17N4OS
IUPAC name3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
InChI IdentifierInChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
InChI KeyJZRWCGZRTZMZEH-UHFFFAOYSA-N
Isomeric SMILESCC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
Average Molecular Weight265.355
Monoisotopic Molecular Weight265.112306876
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting Point248 oC
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 1 g
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