Product Information
Canonical SMILES
C1=C(N=C(S1)N)C2=CSC(=N2)N
Inchi
MRFMTBTUKQIBDI-UHFFFAOYSA-N
InChIKey
InChI=1S/C6H6N4S2/c7-5-9-3(1-11-5)4-2-12-6(8)10-4/h1-2H,(H2,7,9)(H2,8,10)
Boiling Point
499.8±20.0 °C(Predicted)
Melting Point
237-240 °C (decomp)
Density
1.590±0.06 g/cm3(Predicted)
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Condition To Avoid
Air Sensitive
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
151084
Monoisotopic Mass
198.00338856
Topological Polar Surface Area
134 Ų