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Thiamine disulfide

Thiamine disulfide structure

CAS No:
67-16-3
Formula:
C24H34N8O4S2
Chemical Name:
Thiamine disulfide
Synonyms:
Formamide,N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-;Formamide,N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-;N,N′-[Dithiobis[2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide];Aneurine disulfide;N,N′-[Dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide;SSB1;TDS;Thiamine disulfide;Vitamin B1 disulfide;Algoneurina;Feidmin 5;Alitia S;Neolamin;Apren S;Thiamidin F;Daiomin;Daisazin;Thiamin disulfide;TDS (neurotrope);Aneurin disulfide;Aktivin;Lowei;1089761-47-6;1089761-51-2
Categories:
Specialty Chemicals

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Description

White Solid

Thiamine disulfide Basic Attributes

Molecular Weight：

562.708

Exact Mass：

562.71

EC Number：

200-644-4

DSSTox ID：

DTXSID6046890

Characteristics

PSA：

235.28000

XLogP3：

2.79

Density：

1.4±0.1 g/cm3

Melting Point：

177 °C

Boiling Point：

886.1±65.0 °C at 760 mmHg

Flash Point：

489.7±34.3 °C

Refractive Index：

1.669

Toxicity：

LD50 intravenous in mouse: 500mg/kg

Safety Information

RTECS Number：

LQ2715000

Drug Information

MeSH Entry Terms：

N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(N-((4-amino-2-methyl-5-pyrimidinyl)-methyl)formamide)

Thiamine disulfide Use and Manufacturing

Uses

Thiamine is a essential nutrient required for carbohydrate metabolism; also involved in nerve function. Biosynthesized by microorganisms and plants. Dietary sources include whole grains, meat products , vegetables, milk, legumes and fruit. Also present in rice husks and yeast. Converted in vivo to Thiamine diphosphate, a coenzyme in the decarboxylation of α-keto acids. Chronic deficiency may lead t o neurological impairment, bariberi, Wernicke-Korsakoff syndrome.

Manufacturing Info：

Formamide, N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-: INACTIVE

Computed Properties

Molecular Weight:562.7
XLogP3:-0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:562.21444394
Monoisotopic Mass:562.21444394
Topological Polar Surface Area:235
Heavy Atom Count:38
Complexity:767
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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