ChemicalBook--->CAS DataBase List--->299-35-4

299-35-4

299-35-4 Structure

299-35-4 Structure
IdentificationBack Directory
[Name]

THIOTHIAMINE
[CAS]

299-35-4
[Synonyms]

Solbone
sulbone
ThiothiaMin
THIOTHIAMINE
Thiothlamine
ThioxothiaMine
AURORA KA-6939
Thiamin-2-thione
ThiaMine IMpurity A
Thiamin EP Impurity E
ThiaMin Thiothiazolone
Thiamine EP Impurity E
Thiamine Impurity 5(Thiamine EP Impurity E)
3-(4-amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3h)-thione
3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-thione
3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-(2-hydroxyethyl)-4-methyl-4-thiazoline-2-thione
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-Thiazolethione
3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione
3-[(2-Methyl-4-amino-5-pyrimidinyl)methyl]-5-(β-hydroxyethyl)-4-methyl-4-thiazoline-2-thione
2(3H)-Thiazolethione, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-
[EINECS(EC#)]

206-077-9
[Molecular Formula]

C12H16N4OS2
[MDL Number]

MFCD04112824
[MOL File]

299-35-4.mol
[Molecular Weight]

296.41
Chemical PropertiesBack Directory
[Melting point ]

238-239 °C
[Boiling point ]

509.6±60.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Very Slightly, Heated)
[form ]

Solid
[pka]

14.72±0.10(Predicted)
[color ]

Pale Beige to Light Brown
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)
[InChIKey]

SQOCQQPFEFRKBV-UHFFFAOYSA-N
[SMILES]

S1C(CCO)=C(C)N(CC2=CN=C(C)N=C2N)C1=S
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
[WGK Germany ]

WGK 1
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

THIAMINE HYDROCHLORIDE
Hazard InformationBack Directory
[Chemical Properties]

Crystals. Melting point 239℃, its hydrochloride decomposes at 245℃.
[Uses]

Thiothiamine is an impurity of Thiamine (T344185). Thiothiamine inhibits the activity of glutamate decarboxylase and decreases the concentration of GABA in brain tissue. Thiamine Impurity A;
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