3652-32-2

Name 4-METHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
CAS 3652-32-2
Molecular Formula C8H8N4S
MDL Number MFCD00112607
Molecular Weight 192.24
MOL File 3652-32-2.mol

Chemical Properties

Melting point  287 °C
Boiling point  294.6±32.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 8.18±0.20(Predicted)
color  Off-white/faint yellow
InChI InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)
InChIKey ACDUEIIMRXEFHO-UHFFFAOYSA-N
SMILES N1=C(C2C=CN=CC=2)N(C)C(=S)N1
CAS DataBase Reference 3652-32-2(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes  Xi
HazardClass  IRRITANT
HS Code  2933998090
Toxicity
mouse,LD50,oral,1100mg/kg (1100mg/kg),Journal of Medicinal Chemistry. Vol. 8, Pg. 676, 1965.

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