 Home > Encyclopedia > 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

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

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 structure

CAS No:
90302-12-8
Formula:
C18H21N3O5S2
Chemical 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:
NSC360192;CTK5G7634;DTXSID80401394;NSC-360192;6-(Benzylsulfanyl)-2-[2,3-O-(1-methylethylidene)pentofuranosyl]-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one;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-[4-(HYDROXYMETHYL)-7,7-DIMETHYL-3,6,8-TRIOXABICYCLO [3.3.0]OCT-2-YL]-5-SULFANYLIDENE-1,2,4-TRIAZIN-3-ONE

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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 Basic Attributes

Molecular Weight：

423.50644

Exact Mass：

423.092

NSC Number：

360192

DSSTox ID：

DTXSID80401394

Characteristics

PSA：

150

XLogP3：

1.8

Density：

1.57g/cm3

Refractive Index：

1.721

Computed Properties

Molecular Weight:423.5
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:423.09226313
Monoisotopic Mass:423.09226313
Topological Polar Surface Area:150
Heavy Atom Count:28
Complexity:668
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 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

Basic Attributes
Characteristics
Computed Properties

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

SDS

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