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Sulbutiamine Structure

Sulbutiamine

Chemical Properties

Melting point 140.5-141.5 °C
Boiling point 892.5±65.0 °C(Predicted)
Density  1.1323 (rough estimate)
refractive index  1.7400 (estimate)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 5.82±0.10(Predicted)
form  Solid
color  White to Off-White
Merck  14,9297
Stability Hygroscopic
InChIKey CKHJPWQVLKHBIH-UHFFFAOYSA-N
SMILES C(CCOC(=O)C(C)C)(SSC(CCOC(=O)C(C)C)=C(C)N(C=O)CC1=CN=C(C)N=C1N)=C(C)N(C=O)CC1=CN=C(C)N=C1N
CAS DataBase Reference 3286-46-2(CAS DataBase Reference)
FDA UNII 42NCM1BW43
ATC code A11DA02

Safety

Hazard statements H413
RTECS  LQ2721000
HS Code  2933.59.9500

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