3-Benzothiazol-2-Yl-1-Methyl-1-Nitroso-Urea
[CAS# 51542-33-7]

Identification

• Name: 3-Benzothiazol-2-Yl-1-Methyl-1-Nitroso-Urea
• Synonyms: 3-(1,3-Benzothiazol-2-Yl)-1-Methyl-1-Nitroso-Urea; N-(2-Benzothiazolyl)-N'-Methyl-N'-Nitrosourea; N-Methyl-N-Nitroso-N'-(2-Benzothiazolyl)-Harnstoff [German]
• Molecular Formula: C₉H₈N₄O₂S
• Molecular Weight: 236.25
• CAS Registry Number: 51542-33-7
• SMILES: C1=CC=CC2=C1SC(=N2)NC(=O)N(C)N=O
• InChI: 1S/C9H8N4O2S/c1-13(12-15)9(14)11-8-10-6-4-2-3-5-7(6)16-8/h2-5H,1H3,(H,10,11,14)
• InChIKey: WLIJZJZXWRTQIH-UHFFFAOYSA-N

Properties

• Density: 1.538g/cm³ (Cal.)