Methyl 1,2,3,4-Tetrahydro-3-Hydroxymethyl-beta-Carboline-2-Carbodithioate
[CAS# 96086-52-1]

Identification

• Name: Methyl 1,2,3,4-Tetrahydro-3-Hydroxymethyl-beta-Carboline-2-Carbodithioate
• Synonyms: (3S)-3-(Hydroxymethyl)-1,3,4,9-Tetrahydropyrido[5,4-B]Indole-2-Carbodithioic Acid Methyl Ester; (3S)-3-Methylol-1,3,4,9-Tetrahydro-$B-Carboline-2-Carbodithioic Acid Methyl Ester; Thmcc
• Molecular Formula: C₁₄H₁₆N₂OS₂
• Molecular Weight: 292.41
• CAS Registry Number: 96086-52-1
• SMILES: [C@H]3(CC1=C([NH]C2=CC=CC=C12)CN3C(SC)=S)CO
• InChI: 1S/C14H16N2OS2/c1-19-14(18)16-7-13-11(6-9(16)8-17)10-4-2-3-5-12(10)15-13/h2-5,9,15,17H,6-8H2,1H3/t9-/m0/s1
• InChIKey: IFUFGCHZTXPRII-VIFPVBQESA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 506.249°C at 760 mmHg (Cal.)
• Flash point: 259.97°C (Cal.)