804-30-8

Name Fursultiamine
CAS 804-30-8
EINECS(EC#) 212-357-1
Molecular Formula C17H26N4O3S2
MDL Number MFCD00867383
Molecular Weight 398.54
MOL File 804-30-8.mol

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  Chloroform (Slightly), Methanol (Slightly)
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 Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Toxicity
LD50 in rats (mg/kg): 2200 orally; 540 i.p. (Yurugi, Fushimi)

Raw materials And Preparation Products

Hazard Information

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