4-Butoxy-N-(2-Pyrrolidin-1-Ylethyl)Benzenecarbothioamide
[CAS# 72004-12-7]

Identification

• Name: 4-Butoxy-N-(2-Pyrrolidin-1-Ylethyl)Benzenecarbothioamide
• Synonyms: 4-Butoxy-N-(2-1-Pyrrolidinylethyl)Benzenecarbothioamide; 4-Butoxy-N-(2-Pyrrolidin-1-Ylethyl)Thiobenzamide; Brn 1649993
• Molecular Formula: C₁₇H₂₆N₂OS
• Molecular Weight: 306.47
• CAS Registry Number: 72004-12-7
• SMILES: C1=CC(=CC=C1C(NCCN2CCCC2)=S)OCCCC
• InChI: 1S/C17H26N2OS/c1-2-3-14-20-16-8-6-15(7-9-16)17(21)18-10-13-19-11-4-5-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,21)
• InChIKey: VBPIIXDTFHDGNV-UHFFFAOYSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 428.369°C at 760 mmHg (Cal.)
• Flash point: 212.87°C (Cal.)