Thiosulfuric Acid Hydrogen S-[2-[(2-Cyclopentylbutyl)Amino]Ethyl] Ester
[CAS# 21208-94-6]

Identification

• Name: Thiosulfuric Acid Hydrogen S-[2-[(2-Cyclopentylbutyl)Amino]Ethyl] Ester
• Synonyms: [(2S)-2-Cyclopentylbutyl]-(2-Hydroxysulfonothioyloxyethyl)Amine; 2-((2-Cyclopentylbutyl)Amino)Ethanethiol, Hydrogen Sulfate (Ester); Ethanethiol, 2-((2-Cyclopentylbutyl)Amino)-, Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₁H₂₃NO₃S₂
• Molecular Weight: 281.43
• CAS Registry Number: 21208-94-6
• SMILES: [C@H](CNCCO[S](=O)(O)=S)(CC)C1CCCC1
• InChI: 1S/C11H23NO3S2/c1-2-10(11-5-3-4-6-11)9-12-7-8-15-17(13,14)16/h10-12H,2-9H2,1H3,(H,13,14,16)/t10-/m1/s1
• InChIKey: SEBZMEGIAVOMEZ-SNVBAGLBSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 411.064°C at 760 mmHg (Cal.)
• Flash point: 202.405°C (Cal.)