3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate supplier

Name
Thiamine mononitrate
EINECS 208-537-4
CAS No. 18601-90-6
Density
Solubility
Melting Point 196-200℃
Formula C₁₂H₁₇N₅O₄S
Boiling Point
Molecular Weight 327.3595
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms thiamine nitrate
PSA 170.20000
LogP -1.63160

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate Specification

The 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate is an organic compound with the formula C₁₂H₁₇N₅O₄S. The systematic name of this chemical is 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate. With the CAS registry number 18601-90-6, it is also named as Thiamine mononitrate.

The other characteristics of 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate can be summarized as: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 70.37 Å².

People can use the following data to convert to the molecule structure.
1. SMILES:[O-][N+]([O-])=O.n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N
2. InChI:InChI=1/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
3. InChIKey:UIERGBJEBXXIGO-UHFFFAOYAD
4. Std. InChI:InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
5. Std. InChIKey:UIERGBJEBXXIGO-UHFFFAOYSA-N

Product Name

Thiamine mononitrate

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate Specification

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