(2Z)-2-[(E)-(3-Methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-2-butenedinitrile
[CAS# 64226-16-0]

Identification

• Name: (2Z)-2-[(E)-(3-Methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-2-butenedinitrile
• Synonyms: 2-((E)-(3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)maleonitrile
• Molecular Formula: C₁₃H₉N₃S
• Molecular Weight: 239.30
• CAS Registry Number: 64226-16-0
• SMILES: CN\1c2ccccc2S/C1=C/C(=C/C#N)/C#N
• InChI: 1S/C13H9N3S/c1-16-11-4-2-3-5-12(11)17-13(16)8-10(9-15)6-7-14/h2-6,8H,1H3/b10-6-,13-8+
• InChIKey: QDBOKVFTIKJEGH-QLRWNBFXSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 344.183°C at 760 mmHg (Cal.)
• Flash point: 161.956°C (Cal.)