2-[4-(2,5-Dimethylcyclohexyl)Butyl]Aminoethanethiol Sulfate
[CAS# 21209-12-1]

Identification

• Name: 2-[4-(2,5-Dimethylcyclohexyl)Butyl]Aminoethanethiol Sulfate
• Synonyms: 4-[(1S)-2,5-Dimethylcyclohexyl]Butyl-(2-Hydroxysulfonothioyloxyethyl)Amine; Brn 2984170; Ethanethiol, 2-(4-(2,5-Dimethylcyclohexyl)Butyl)Amino-, Hydrogen Sulfate(Ester)
• Molecular Formula: C₁₄H₂₉NO₃S₂
• Molecular Weight: 323.51
• CAS Registry Number: 21209-12-1
• SMILES: [C@H]1(C(CCC(C1)C)C)CCCCNCCO[S](=S)(=O)O
• InChI: 1S/C14H29NO3S2/c1-12-6-7-13(2)14(11-12)5-3-4-8-15-9-10-18-20(16,17)19/h12-15H,3-11H2,1-2H3,(H,16,17,19)/t12?,13?,14-/m0/s1
• InChIKey: VMFXVPAUHSYJHT-RUXDESIVSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 442.833°C at 760 mmHg (Cal.)
• Flash point: 221.617°C (Cal.)