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2-[1,1,3-trioxo-2-(2-phenylethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile

2-[1,1,3-trioxo-2-(2-phenylethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile structure

CAS No:
214916-41-3
Formula:
C15H13N3O3S2
Chemical Name:
2-[1,1,3-trioxo-2-(2-phenylethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile
Synonyms:
214916-41-3;4H-Thieno(3,4-e)-1,2,4-thiadiazine-4-acetonitrile, 2,3-dihydro-3-oxo-2-(2-phenylethyl)-, 1,1-dioxide;2-(1,1,3-Trioxo-2-(2-phenylethyl)thiopheno(3,4-e)1,2,4-thiadiazaperhydroin-4-yl)ethanenitrile;2-[1,1,3-Trioxo-2-(2-phenylethyl)thiopheno[3,4-e]1,2,4-thiadiazaperhydroin-4-yl]ethanenitrile;4H-Thieno[3,4-e]-1,2,4-thiadiazine-4-acetonitrile, 2,3-dihydro-3-oxo-2-(2-phenylethyl)-, 1,1-dioxide;CHEMBL334862;DTXSID40175807;2,4-Dithia-5,7-diaza-5-phenethyl-6,7-dihydro-6-oxo-7-(cyanomethyl)-5H-indene 4,4-dioxide;2-(1,1,3-trioxo-2-phenethyl-thieno[3,4-e][1,2,4]thiadiazin-4-yl)acetonitrile

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2-[1,1,3-trioxo-2-(2-phenylethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile Basic Attributes

Molecular Weight：

347.4 g/mol

Exact Mass：

347.03983363 g/mol

DSSTox ID：

DTXSID40175807

Characteristics

PSA：

118 Å²

Computed Properties

Molecular Weight:347.4
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:347.03983363
Monoisotopic Mass:347.03983363
Topological Polar Surface Area:118
Heavy Atom Count:23
Complexity:601
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[1,1,3-trioxo-2-(2-phenylethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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