3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate

Base Information

• Chemical Name: 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate
• CAS No.: 573-09-1
• Molecular Formula: C22H24N4O7S3
• Molecular Weight: 552.6436
• European Community (EC) Number: 209-349-5
• UNII: ZWY7D9M9UB
• DSSTox Substance ID: DTXSID40205911
• Mol file: 573-09-1.mol

Synonyms:EINECS 209-349-5;Thiamine naphthalene-1,5-disulfonate;573-09-1;ZWY7D9M9UB;3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate;2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;5-sulfonaphthalene-1-sulfonate;2-(3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL)ETHANOL;5-SULFONAPHTHALENE-1-SULFONATE;3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate;UNII-ZWY7D9M9UB;DTXSID40205911;C12H17N4OS.C10H7O6S2;C12-H17-N4-O-S.C10-H7-O6-S2;THIAMINE, 1,5-NAPHTHALENEDISULFONATE (1:1);1,5-NAPHTHALENEDISULFONIC ACID, ION(1-), THIAMINE;1,5-NAPHTHALENEDISULFONIC ACID, ION(1-), 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM;THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, 1,5-NAPHTHALENEDISULFONATE (1:1);THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, 1,5-NAPHTHALENEDISULFONATE (1:1) (SALT)

Chemical Property of 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 233.21000
• Density: g/cm³
• LogP: 3.69000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 552.08071264
• Heavy Atom Count: 36
• Complexity: 753

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O