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4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile

4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile structure

CAS No:
135518-34-2
Formula:
C13H8FN3S3
Chemical Name:
4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile
Synonyms:
4-Amino-3-(((4-fluorophenyl)methyl)thio)thieno(3,2-d)isothiazole-5-carbonitrile; Thieno(3,2-d)isothiazole-5-carbonitrile,4-amino-3-(((4-fluorophenyl)methyl)thio);

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4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile Basic Attributes

Molecular Weight：

321.41600

Exact Mass：

320.98643895

DSSTox ID：

DTXSID10159437

Characteristics

PSA：

144.48000

XLogP3：

4.82428

Density：

1.56g/cm3

Boiling Point：

477.1ºC at 760 mmHg

Flash Point：

242.3ºC

Refractive Index：

1.755

Vapor Pressure：

2.88E-09mmHg at 25°C

Computed Properties

Molecular Weight:321.4
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:320.98643895
Monoisotopic Mass:320.98643895
Topological Polar Surface Area:145
Heavy Atom Count:20
Complexity:394
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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