2-Hexylthiirane
[CAS# 5633-78-3]

Identification

• Name: 2-Hexylthiirane
• Synonyms: 4-[[(Z)-[3-Methyl-1-(4-Methylphenyl)-5-Oxo-Pyrazol-4-Ylidene]Methyl]Amino]Benzenesulfonamide; 4-[[(Z)-[3-Methyl-1-(4-Methylphenyl)-5-Oxo-4-Pyrazolylidene]Methyl]Amino]Benzenesulfonamide; 4-[[(Z)-[5-Keto-3-Methyl-1-(4-Methylphenyl)Pyrazol-4-Ylidene]Methyl]Amino]Benzenesulfonamide
• Molecular Formula: C₁₈H₁₈N₄O₃S
• Molecular Weight: 370.43
• CAS Registry Number: 5633-78-3
• SMILES: C1=CC(=CC=C1[S](=O)(=O)N)N\C=C2/C(N(N=C2C)C3=CC=C(C=C3)C)=O
• InChI: 1S/C18H18N4O3S/c1-12-3-7-15(8-4-12)22-18(23)17(13(2)21-22)11-20-14-5-9-16(10-6-14)26(19,24)25/h3-11,20H,1-2H3,(H2,19,24,25)/b17-11-
• InChIKey: DYGBXEKHZSPMTQ-BOPFTXTBSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 555.896°C at 760 mmHg (Cal.)
• Flash point: 289.996°C (Cal.)