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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) structure

CAS No:
573-09-1
Formula:
C12H17N4OS.C10H7O6S2
Chemical Name:
Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, 1,5-naphthalenedisulfonate (1:1)
Synonyms:
Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,1,5-naphthalenedisulfonate (1:1);Thiamine,1,5-naphthalenedisulfonate (1:1);Thiamine naphthalene-1,5-disulfonate;Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,1,5-naphthalenedisulfonate (1:1) (salt);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

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Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, 1,5-naphthalenedisulfonate (1:1) Basic Attributes

Molecular Weight：

552.64356

Exact Mass：

552.081

EC Number：

209-349-5

DSSTox ID：

DTXSID40205911

Characteristics

PSA：

233

XLogP3：

3.69000

Melting Point：

290 °C (decomp)

Computed Properties

Molecular Weight:552.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:552.08071264
Monoisotopic Mass:552.08071264
Topological Polar Surface Area:233
Heavy Atom Count:36
Complexity:753
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, 1,5-naphthalenedisulfonate (1:1)

Basic Attributes
Characteristics
Computed Properties
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Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, 1,5-naphthalenedisulfonate (1:1)

SDS

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