2-[2-(3-Methylcyclohexyl)Butyl]Aminoethanethiol Sulfate
[CAS# 21226-94-8]

Identification

• Name: 2-[2-(3-Methylcyclohexyl)Butyl]Aminoethanethiol Sulfate
• Synonyms: 2-Hydroxysulfonothioyloxyethyl-[(2S)-2-(3-Methylcyclohexyl)Butyl]Amine; 2-(((2-Ethyl-2-(3-Methylcyclohexyl))Ethyl)Amino)Ethanethiol Hydrogen Sulfate (Ester); Brn 2981695
• Molecular Formula: C₁₃H₂₇NO₃S₂
• Molecular Weight: 309.48
• CAS Registry Number: 21226-94-8
• SMILES: [C@H](C1CC(CCC1)C)(CNCCO[S](=S)(=O)O)CC
• InChI: 1S/C13H27NO3S2/c1-3-12(13-6-4-5-11(2)9-13)10-14-7-8-17-19(15,16)18/h11-14H,3-10H2,1-2H3,(H,15,16,18)/t11?,12-,13?/m1/s1
• InChIKey: YXJSRDFVGFYGHO-OTTFEQOBSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 431.182°C at 760 mmHg (Cal.)
• Flash point: 214.571°C (Cal.)