Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

40045-50-9

Name 5-[(5-Nitro-2-thiazolyl)thio]-1,3,4thiadiazol-2-amine
CAS 40045-50-9
Molecular Formula C5H3N5O2S3
MDL Number MFCD01927019
Molecular Weight 261
MOL File 40045-50-9.mol

Chemical Properties

Melting point  160 °C(dec.)
Boiling point  549.8±42.0 °C(Predicted)
density  1.88±0.1 g/cm3(Predicted)
storage temp.  Store at RT
solubility  DMSO : 62.5 mg/mL (239.19 mM; Need ultrasonic)
form  Pale yellow solid
pka 0.65±0.10(Predicted)
color  Light yellow to Amber to Dark green
InChI InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)
InChIKey NQQBNZBOOHHVQP-UHFFFAOYSA-N
SMILES S1C(SC2=NC=C([N+]([O-])=O)S2)=NN=C1N

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code  2934100090

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