2-[(4-Cyclohexylhexyl)Amino]Ethanethiol Sulfate
[CAS# 21209-13-2]

Identification

• Name: 2-[(4-Cyclohexylhexyl)Amino]Ethanethiol Sulfate
• Synonyms: [(4S)-4-Cyclohexylhexyl]-(2-Hydroxysulfonothioyloxyethyl)Amine; 2-(((4-Cyclohexyl-4-Ethyl)Butyl)Amino)Ethanethiol Hydrogen Sulfate (Ester); Ethanethiol, 2-((4-Cyclohexylhexyl)Amino)-, Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₄H₂₉NO₃S₂
• Molecular Weight: 323.51
• CAS Registry Number: 21209-13-2
• SMILES: [C@@H](CCCNCCO[S](=O)(O)=S)(CC)C1CCCCC1
• InChI: 1S/C14H29NO3S2/c1-2-13(14-7-4-3-5-8-14)9-6-10-15-11-12-18-20(16,17)19/h13-15H,2-12H2,1H3,(H,16,17,19)/t13-/m0/s1
• InChIKey: AWFWHVOKYNWVOU-ZDUSSCGKSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 450.041°C at 760 mmHg (Cal.)
• Flash point: 225.977°C (Cal.)