4-Methyl-5-Nitrothiazole-2(3H)-Thione
[CAS# 13416-33-6]

Identification

• Name: 4-Methyl-5-Nitrothiazole-2(3H)-Thione
• Synonyms: 4-Methyl-5-Nitro-3H-Thiazole-2-Thione; 2-Thiazolethiol, 4-Methyl-5-Nitro-; 2(3H)-Thiazolethione, 4-Methyl-5-Nitro-
• Molecular Formula: C₄H₄N₂O₂S₂
• Molecular Weight: 176.21
• CAS Registry Number: 13416-33-6
• SMILES: CC1=C(SC(=S)N1)[N+]([O-])=O
• InChI: 1S/C4H4N2O2S2/c1-2-3(6(7)8)10-4(9)5-2/h1H3,(H,5,9)
• InChIKey: LJTMQHALPVCERW-UHFFFAOYSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 259.347°C at 760 mmHg (Cal.)
• Flash point: 110.649°C (Cal.)