Oxythiamine
CAS Registry Number®
136-16-3
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CAS Name
OxythiamineMolecular Formula
C12H16N3O2SCite this Page
Oxythiamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=136-16-3 (retrieved ) (CAS RN: 136-16-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1
InChIKey
InChIKey=SRDGSXVLAVRBLU-UHFFFAOYSA-O
SMILES
C([N+]=1C(C)=C(CCO)SC1)C=2C(=O)NC(C)=NC2
Canonical SMILES
O=C1NC(=NC=C1C[N+]2=CSC(=C2C)CCO)C
Other Names for this Substance
- Thiazolium, 3-[(3,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-
- Thiazolium, 5-(2-hydroxyethyl)-3-[(4-hydroxy-2-methyl-5-pyrimidinyl)methyl]-4-methyl-
- Thiazolium, 3-[(1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-
- 3-[(3,4-Dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium
- Oxythiamine
