299-35-4

Name THIOTHIAMINE
CAS 299-35-4
EINECS(EC#) 206-077-9
Molecular Formula C12H16N4OS2
MDL Number MFCD04112824
Molecular Weight 296.41
MOL File 299-35-4.mol

Chemical Properties

Melting point  238-239 °C
Boiling point  509.6±60.0 °C(Predicted)
density  1.42±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Very Slightly, Heated)
form  Solid
pka 14.72±0.10(Predicted)
color  Pale Beige to Light Brown
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)
InChIKey SQOCQQPFEFRKBV-UHFFFAOYSA-N
SMILES S1C(CCO)=C(C)N(CC2=CN=C(C)N=C2N)C1=S

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
WGK Germany  WGK 1
REACH Registrations Active
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

Raw materials And Preparation Products

Hazard Information

Supplier