(2S)-N-(2-Hydroxysulfonothioyloxyethyl)-1-(4-Methoxyphenyl)Butan-2-Amine
[CAS# 38914-79-3]

Identification

• Name: (2S)-N-(2-Hydroxysulfonothioyloxyethyl)-1-(4-Methoxyphenyl)Butan-2-Amine
• Synonyms: 2-Hydroxysulfonothioyloxyethyl-[(1S)-1-(4-Methoxybenzyl)Propyl]Amine; Brn 2992938; Ethanethiol, 2-(1-(P-Methoxybenzyl)Propyl)Amino-, Hydrogen Thiosulfate
• Molecular Formula: C₁₃H₂₁NO₄S₂
• Molecular Weight: 319.43
• CAS Registry Number: 38914-79-3
• SMILES: [C@H](NCCO[S](=O)(O)=S)(CC)CC1=CC=C(C=C1)OC
• InChI: 1S/C13H21NO4S2/c1-3-12(14-8-9-18-20(15,16)19)10-11-4-6-13(17-2)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3,(H,15,16,19)/t12-/m0/s1
• InChIKey: VIPWJDISTQDBED-LBPRGKRZSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 477.141°C at 760 mmHg (Cal.)
• Flash point: 242.366°C (Cal.)