3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1)

Basic Information

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CAS Number

67-03-8

Molecular Formula

C12H18Cl2N4OS

Molecular Weight

337.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

250 °C (dec.)

Boiling Point

No data available

Density

1.3766 (rough estimate)

Water Solubility

1 g/mL

Solubility

H2O: 0.1 g/mL at 20 °C, clear, colorless

Refractive Index

1.6000 (estimate)

Vapor Pressure

No data available

SMILES

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CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.[H]Cl.[Cl-]

InChI

InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

InChIKey

DPJRMOMPQZCRJU-UHFFFAOYSA-M

LogP

-1.00510

Complexity

269

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.

Sensitiveness

Light Sensitive & Hygroscopic

Toxicity

LD50 in mice (mg/kg): 89.2 i.v.; 8224 orally (Winter)

Synonyms & References

English

THIAMINE HYDROCHLORIDE
HYDROCHLORIDE
ANEURIN
ANEURINE HYDROCHLORIDE
ANEURIN HCL
B1-THIAMINE HYDROCHLORIDE
FEMA 3322
THIAMINE
THIAMINE CHLORIDE HYDROCHLORIDE
thiamine diphosphate chloride
THIAMINE HCL
THIAMINIUM CHLORIDE HYDROCHLORIDE
THIAMINIUM DICHLORIDE
TIMTEC-BB SBB001377
VITAMIN B1
VITAMIN B1 HCL
Thiamine Hydrochloride Hydrate
Thiamine HCl (Vitamin B1)
Thiamine HCl (Vitamin B1) solution
Thiamine Hydrochloride (B1)
VITAMIN B1 HCL (THIAMINE HCL)(AS) PrintBack
Vitamin B1 hydrochloride
thiamine, hidrochloryde
Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride (1:1), hydrochloride (1:1)
VB1
Aneurine Hydrochloride Hydrate
Thiamine Chloride Hydrochloride Hydrate
Vitamin B1 Hydrochloride Hydrate
Thiamine dichloride
Trophite
Thiamin chloride

MDL Number

MFCD00012780

FAQ

What is 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1) (CAS: 67-03-8)?

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1), with CAS number 67-03-8, is a synthetic organic compound that contains a thiazole ring and a pyrimidine ring. It is a salt form, typically used in pharmaceutical and research settings. The compound is known for its potential biological activity and is often studied for its role in drug development and chemical synthesis.

What are the main uses of 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1) (CAS: 67-03-8)?

This compound is primarily used in pharmaceutical research as a building block for the development of drugs, particularly those targeting metabolic disorders. It also finds application in chemical synthesis and as a research reagent in organic chemistry. Its unique structure makes it valuable for studying molecular interactions and biological mechanisms.

Is 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1) (CAS: 67-03-8) safe?

The safety of 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1) (CAS: 67-03-8) depends on its application and handling. As a chemical reagent, it should be handled with care, using appropriate personal protective equipment (PPE). It is generally considered safe when used in controlled environments and according to safety guidelines, but proper precautions are essential to avoid exposure and ensure safe handling.

How should 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1) (CAS: 67-03-8) be stored?

To maintain stability and prevent degradation, 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride (1:1:1) (CAS: 67-03-8) should be stored in a cool, dry place away from direct light. It is recommended to keep it in a sealed container at a temperature below 25°C and maintain low humidity to preserve its chemical integrity.