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3-benzylsulfanyl-5-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile

3-benzylsulfanyl-5-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile structure

CAS No:
24134-99-4
Formula:
C13H9N3S3
Chemical Name:
3-benzylsulfanyl-5-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile
Synonyms:
4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-((phenylmethyl)thio)-;24134-99-4;BRN 4264050;5-((Cyanomethyl)thio)-3-((phenylmethyl)thio)-4-isothiazolecarbonitrile;DTXSID50178849

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3-benzylsulfanyl-5-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile Basic Attributes

Molecular Weight：

303.4 g/mol

Exact Mass：

302.99586082 g/mol

DSSTox ID：

DTXSID50178849

Characteristics

PSA：

139 Å²

Computed Properties

Molecular Weight:303.4
XLogP3:3.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:302.99586082
Monoisotopic Mass:302.99586082
Topological Polar Surface Area:139
Heavy Atom Count:19
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-benzylsulfanyl-5-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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