 Home > Encyclopedia > 2-[2-[(3-bromophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile

2-[2-[(3-bromophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile

2-[2-[(3-bromophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile structure

CAS No:
214916-38-8
Formula:
C14H10BrN3O3S2
Chemical Name:
2-[2-[(3-bromophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile

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2-[2-[(3-bromophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile Basic Attributes

Molecular Weight：

412.28200

Exact Mass：

410.93470 g/mol

DSSTox ID：

DTXSID60175804

Characteristics

PSA：

118.10000

XLogP3：

4.24878

Density：

1.744g/cm3

Boiling Point：

619.8ºC

Flash Point：

328.6ºC

Refractive Index：

1.69

Vapor Pressure：

2.75E-15mmHg at 25°C

Computed Properties

Molecular Weight:412.3
XLogP3:2.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:410.93470
Monoisotopic Mass:410.93470
Topological Polar Surface Area:118
Heavy Atom Count:23
Complexity:627
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-[(3-bromophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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