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Fursultiamine Structure

Fursultiamine

Chemical Properties

Melting point 130-136°C (decompos.)
Boiling point 652.3±55.0 °C(Predicted)
Density  1.29
refractive index  1.6270 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility  soluble in organic solvents such as ethanol, DMSO, and dimethyl formamide (DMF).
form  Solid
pka 14.42±0.10(Predicted)
color  White to Off-White
InChI InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)
InChIKey JTLXCMOFVBXEKD-UHFFFAOYSA-N
SMILES C(N(CC1=CN=C(C)N=C1N)C(C)=C(SSCC1CCCO1)CCO)=O
CAS DataBase Reference 804-30-8(CAS DataBase Reference)

Safety Information

Toxicity LD50 in rats (mg/kg): 2200 orally; 540 i.p. (Yurugi, Fushimi)

Usage And Synthesis

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