7-Methylsulfanyl-8,9,10-Triazabicyclo[4.4.0]Deca-1,3,5,7,9-Pentaene
[CAS# 22305-56-2]

Identification

• Name: 7-Methylsulfanyl-8,9,10-Triazabicyclo[4.4.0]Deca-1,3,5,7,9-Pentaene
• Synonyms: 4-(Methylthio)-1,2,3-Benzotriazine; Ak-830/13217005; Nci17809
• Molecular Formula: C₈H₇N₃S
• Molecular Weight: 177.22
• CAS Registry Number: 22305-56-2
• SMILES: C1=CC=CC2=NN=NC(=C12)SC
• InChI: 1S/C8H7N3S/c1-12-8-6-4-2-3-5-7(6)9-11-10-8/h2-5H,1H3
• InChIKey: BEZAACQRPPJFMJ-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 359.806°C at 760 mmHg (Cal.)
• Flash point: 171.405°C (Cal.)