4-(3-Methylbutoxy)-N-(2-Pyrrolidin-1-Ylethyl)Benzenecarbothioamide
[CAS# 72004-14-9]

Identification

• Name: 4-(3-Methylbutoxy)-N-(2-Pyrrolidin-1-Ylethyl)Benzenecarbothioamide
• Synonyms: 4-Isopentyloxy-N-(2-Pyrrolidin-1-Ylethyl)Benzenecarbothioamide; 4-Isopentyloxy-N-(2-1-Pyrrolidinylethyl)Benzenecarbothioamide; 4-Isoamoxy-N-(2-Pyrrolidin-1-Ylethyl)Thiobenzamide
• Molecular Formula: C₁₈H₂₈N₂OS
• Molecular Weight: 320.49
• CAS Registry Number: 72004-14-9
• SMILES: C1=C(C=CC(=C1)OCCC(C)C)C(NCCN2CCCC2)=S
• InChI: 1S/C18H28N2OS/c1-15(2)9-14-21-17-7-5-16(6-8-17)18(22)19-10-13-20-11-3-4-12-20/h5-8,15H,3-4,9-14H2,1-2H3,(H,19,22)
• InChIKey: JNTPSKCIAPNPJR-UHFFFAOYSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 436.46°C at 760 mmHg (Cal.)
• Flash point: 217.763°C (Cal.)