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Thiamine disulfide

CAT: 0013-GTR19173481-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19173481-02Size:1 g
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Description
Thiamine (Vitamin B1) is an essential nutrient and research compound that serves as a critical cofactor for central metabolic enzymes. It is widely used in biochemical and nutritional studies, including in vitro assays and in vivo models investigating cellular energy metabolism and neurological function.
CAS Number
67-16-3
Product Name Alternative
Daiomin, dimer, AIDS, Algoneurina, EndogenousMetabolite, Endogenous Metabolite, Human immunodeficiency virus, HIV Protease, HIV-1, HIVProtease, HIV, inhibit, Inhibitor, Thiamine, Thiamine disulfide, Thiamine Disulfide, oxidized, TDS, vitamin-B1
Field of Research
Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.18% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (8.89 mM) ; DMSO:250 mg/mL (444.28 mM)
Smiles
C\C (N (Cc1cnc (C) nc1N) C=O) =C (\CCO) SS\C (CCO) =C (\C) N (Cc1cnc (C) nc1N) C=O
Molecular Formula
C24H34N8O4S2
Molecular Weight
562.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiamine Disulfide

structure

CAS Number67-16-3
PubChem CID3038097
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
Molecular FormulaC24H34N8O4S2
Molecular Weight562.7
XLogP-0.5
Topological Polar Surface Area235
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity767
SMILES
CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCO)/CCO)/C)C=O
InChI
InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15-,22-16-
InChIKey
GFEGEDUIIYDMOX-BMJUYKDLSA-N
Chemical Structure
2D Structure
2D structure of Thiamine Disulfide
CAS: 67-16-3
CID: 3038097
Formula: C24H34N8O4S2
MW: 562.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.7
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass562.21444394
Monoisotopic Mass562.21444394
Topological Polar Surface Area235 Ų
Heavy Atom Count38
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T20062-01Thiamine disulfide
TYD-01506-01Thiamine disulfide dinitrate
MBS6051475-01Thiamine Disulfide Hydrate
AR-T01822-01Thiamine Disulfide-d6
HY-B2224R-01Thiamine disulfide (Standard)
290951-01Thiamine Tetrahydrofurfuryl Disulfide
sc-296530Thiamine Disulfide Nitrate
HY-B2173Thiamine disulfide (dinitrate)
RM-T090942-01Thiamine Disulfide Impurity 2
RM-T090941-01Thiamine Disulfide Impurity 1

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