Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Thiamine, Vitamin B1 67-03-8, 59-43-8, 24539 1130
Structure Other Information
Canonical SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
Iso SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
InChI InChI=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 Key JZRWCGZRTZMZEH-UHFFFAOYSA-N
Formula C12H17N4OS+
Mol Weight 265.355
XlogP3 1
Charge 1

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Synonyms Information
CAS Name 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol
IUPAC Name 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol
Openeye Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Systematic Name 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Tratitional Name 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol