Thiamine hydrochloride

• CAS: 67-03-8
• Catalog Number: ACM67038
• Category: Other Products
• Molecular Weight: 337.27
• Molecular Formula: C12H17N4OS.ClH.Cl
• Synonyms: Apatedrops
• IUPAC Name: 2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.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
• InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M
• Melting Point: 250 °C(lit.)
• Flash Point: 9 °C
• Density: 1.3766 g/cm³
• Solubility: Slightly soluble in ethanol
• Appearance: Crystalline powder
• Storage: Room temperature
• Assay: 99.9%min
• Complexity: 269
• Exact Mass: 336.0578378
• Hazard Statements: Xi,T,F
• Monoisotopic Mass: 336.0578378
• Packaging: 1 kg
• Refractive Index: 1.6000
• Safety Description: 22-24/25-37/39-26-36-45-36/37-16-7
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
• Storage Conditions: 2-8°C
• Supplemental Hazard Statements: H303-H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 104 Ų

Custom Q&A

What is the molecular formula of thiamine hydrochloride?

The molecular formula of thiamine hydrochloride is HC12H17ON4SCl2.

What is the molecular weight of thiamine hydrochloride?

The molecular weight of thiamine hydrochloride is 337.3 g/mol.

What is the role of thiamine hydrochloride?

Thiamine hydrochloride has a role as an insect repellent.

What is the IUPAC name of thiamine hydrochloride?

The IUPAC name of thiamine hydrochloride is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride.

How is thiamine hydrochloride synthesized?

Thiamine hydrochloride is synthesized by combining thiamine chloride with one molar equivalent of hydrochloric acid.

What is the parent compound of thiamine hydrochloride?

The parent compound of thiamine hydrochloride is thiamine (CID 1130).

What is the coenzyme form of thiamine hydrochloride?

Thiamine hydrochloride is phosphorylated by thiamine diphosphokinase to form active thiamine pyrophosphate (TPP), also known as cocarboxylase.

What are the synonyms for thiamine hydrochloride?

The synonyms for thiamine hydrochloride include THIAMINE HYDROCHLIDE, Aneurine hydrochloride, Vitamin B1 hydrochloride, and more.

What is the InChIKey of thiamine hydrochloride?

The InChIKey of thiamine hydrochloride is DPJRMOMPQZCRJU-UHFFFAOYSA-M.

What is the common CAS number for thiamine hydrochloride?

The common CAS number for thiamine hydrochloride is 67-03-8.

Synthetic Use

Upstream Synthesis Route 1

• 52164-53-1

• 67-03-8

Reference: [1] Patent: CN105884759, 2016, A, . Location in patent: Paragraph 0027; 0028; 0029; 0030; 0031; 0032

Upstream Synthesis Route 2

• 31375-20-9
• 13051-49-5

• 67-03-8

Reference: [1]Journal of the Chemical Society,1938,p. 26

Downstream Synthesis Route 1

• 67-03-8

• 299-88-7

Reference: [1] Yakugaku Zasshi, 1953, vol. 73, p. 705,707

Downstream Synthesis Route 2

• 67-03-8

• 59-43-8

Reference: [1] Synthesis, 1986, # 12, p. 1065 - 1067

Downstream Synthesis Route 3

• 1212-08-4
• 67-03-8

• 19498-76-1

Reference: [1]Journal of Vitaminology,1954,vol. 1,p. 13,20,23,25

Downstream Synthesis Route 4

• 18542-39-7
• 67-03-8

• 2281-23-4

Reference: [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1953,vol. 73,p. 216,217
Chem.Abstr.,1954,p. 2071

* For details of the synthesis route, please refer to the original source to ensure accuracy.