AC1N6UKJ structure

AC1N6UKJ

6-benzylsulfanyl-2-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-sulfanylidene-1,2,4-triazin-3-one

Also Known As: 1,2,4-Triazine,3,5-bis[(trimethylsilyl)thio]|6-(Benzylthio)-2-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one|6-benzylsulfanyl-2-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-sulfanylidene-1,2,4-triazin-3-one|6-(Benzylsulfanyl)-2-[2,3-O-(1-methylethylidene)pentofuranosyl]-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one|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
Molecular Formula C18H21N3O5S2
Molecular Weight 423.09225 g/mol
LogP 2.00299
Topological Polar Surface Area 98.6 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 423.09225
Monoisotopic Mass 423.09225
Heavy Atoms 28
Complexity 961.6837

Chemical Identifiers

CAS Number 90302-12-8
SMILES CC1(OC2C(OC(C2O1)N3C(=O)NC(=S)C(=N3)SCC4=CC=CC=C4)CO)C

Product Overview

AC1N6UKJ (CAS 90302-12-8), with molecular formula C18H21N3O5S2 and molecular weight 423.09225 g/mol. IUPAC: 6-benzylsulfanyl-2-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-sulfanylidene-1,2,4-triazin-3-one.

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