 Home > Encyclopedia > 4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile

4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile

4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile structure

CAS No:
136541-58-7
Formula:
C24H20N4S2
Chemical Name:
4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile
Synonyms:
Benzonitrile,4-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)imino)methyl);

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4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile Basic Attributes

Molecular Weight：

428.57200

Exact Mass：

428.11293900

Characteristics

PSA：

118.79000

XLogP3：

5.22848

Density：

1.35g/cm3

Boiling Point：

587.4ºC at 760mmHg

Flash Point：

309.1ºC

Refractive Index：

1.74

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:428.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:428.11293900
Monoisotopic Mass:428.11293900
Topological Polar Surface Area:112
Heavy Atom Count:30
Complexity:701
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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