2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile
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![2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c75b104417e947d5a7cd97ae87f63500.png "2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile")
2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile
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CAS No:
152588-23-3
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Formula:
C12H11N3S
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Chemical Name:
2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile
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Synonyms:
152588-23-3;Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-;ACMC-20n6hr;SCHEMBL6187669;2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile;DTXSID90364800;3-benzylamino-3-methylmercapto-2-cyano-acrylonitrile;3-benzylamino-3-methylsulfanyl-2-cyano-acrylonitrile
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CAS No:
2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile Basic Attributes
229.30 g/mol
229.06736854 g/mol
DTXSID90364800
Computed Properties
Molecular Weight:229.30
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:229.06736854
Monoisotopic Mass:229.06736854
Topological Polar Surface Area:84.9
Heavy Atom Count:16
Complexity:331
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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