2-[4-(3-Methylcyclohexyl)Butyl]Aminoethanethiol Sulfate
[CAS# 21209-04-1]

Identification

• Name: 2-[4-(3-Methylcyclohexyl)Butyl]Aminoethanethiol Sulfate
• Synonyms: 2-Hydroxysulfonothioyloxyethyl-[4-[(1S)-3-Methylcyclohexyl]Butyl]Amine; S-2-((4-(3-Methylcyclohexyl)Butyl)Amino)Ethyl Thiosulfate; 2-((4-(3-Methylcyclohexyl)Butyl)Amino)Ethanethiol Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₃H₂₇NO₃S₂
• Molecular Weight: 309.48
• CAS Registry Number: 21209-04-1
• SMILES: [C@@H]1(CC(CCC1)C)CCCCNCCO[S](=S)(=O)O
• InChI: 1S/C13H27NO3S2/c1-12-5-4-7-13(11-12)6-2-3-8-14-9-10-17-19(15,16)18/h12-14H,2-11H2,1H3,(H,15,16,18)/t12?,13-/m1/s1
• InChIKey: YJYNLBSUQBRMED-ZGTCLIOFSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 436.797°C at 760 mmHg (Cal.)
• Flash point: 217.967°C (Cal.)