6-Benzylsulfanyl-2-[4-(hydroxymethyl)-7,7-dimethyl-3,6,8-trioxabicyclo [3.3.0]oct-2-yl]-5-sulfanylidene-1,2,4-triazin-3-one
[CAS# 90302-12-8]

Identification

• Name: 6-Benzylsulfanyl-2-[4-(hydroxymethyl)-7,7-dimethyl-3,6,8-trioxabicyclo [3.3.0]oct-2-yl]-5-sulfanylidene-1,2,4-triazin-3-one
• Synonyms: 2-[6-(Hydroxymethyl)-2,2-Dimethyl-3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxol-4-Yl]-6-(Phenylmethylsulfanyl)-5-Thioxo-1,2,4-Triazin-3-One; 2-[6-(Hydroxymethyl)-2,2-Dimethyl-3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxol-4-Yl]-6-(Phenylmethylthio)-5-Thioxo-1,2,4
• Molecular Formula: C₁₈H₂₁N₃O₅S₂
• Molecular Weight: 423.50
• CAS Registry Number: 90302-12-8
• SMILES: C1=C(C=CC=C1)CSC2=NN(C(=O)NC2=S)C3OC(CO)C4OC(C)(OC34)C
• InChI: 1S/C18H21N3O5S2/c1-18(2)25-12-11(8-22)24-16(13(12)26-18)21-17(23)19-14(27)15(20-21)28-9-10-6-4-3-5-7-10/h3-7,11-13,16,22H,8-9H2,1-2H3,(H,19,23,27)
• InChIKey: WMPCDXXXGRLWEQ-UHFFFAOYSA-N

Properties

• Density: 1.573g/cm³ (Cal.)