(2R,3aS,4S,7S,7aS)-2-(Hydroxymethyl)-2-sulfanyloctahydro-1H-indole-4,7-diol
[CAS# 750646-58-3]

Identification

• Name: (2R,3aS,4S,7S,7aS)-2-(Hydroxymethyl)-2-sulfanyloctahydro-1H-indole-4,7-diol
• Synonyms: (2R,3aS,4S,7S,7aS)-2-(hydroxymethyl)-2-mercaptooctahydro-1H-indole-4,7-diol
• Molecular Formula: C₉H₁₇NO₃S
• Molecular Weight: 219.30
• CAS Registry Number: 750646-58-3
• SMILES: OC[C@@]1(S)N[C@@H]2[C@@H](O)CC[C@H](O)[C@H]2C1
• InChI: 1S/C9H17NO3S/c11-4-9(14)3-5-6(12)1-2-7(13)8(5)10-9/h5-8,10-14H,1-4H2/t5-,6+,7+,8+,9-/m1/s1
• InChIKey: WMNNTFPTLFRJNC-ZTKNNBQKSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 437.857°C at 760 mmHg (Cal.)
• Flash point: 218.608°C (Cal.)
• Refractive index: 1.623 (Cal.)