((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile

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Basic information

CAS: 20893-01-0
Standard SMILES: Cc1ccc(S(=O)(=O)ON=C(C#N)C#N)cc1
InChIKey: XNCHCTURBIVYBC-UHFFFAOYSA-N
Molecular formula: C10H7N3O3S
Average molar mass: 249.25 g/mol
Monoisotopic mass: 249.02081227

Names & identifiers

Preferred name: ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile
IUPAC: (dicyanomethylideneamino) 4-methylbenzenesulfonate
English name: [[[(4-methylphenyl)sulphonyl]oxy]imino]malononitrile
Molecular formula: C10H7N3O3S
Molecular weight: 249.25

Names & synonyms

20893-01-0(tosyloxy)carbonimidoyl dicyanide((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile[(4-Methylbenzene-1-sulfonyl)oxy]carbonimidoyl dicyanidePropanedinitrile, 2-[[[(4-methylphenyl)sulfonyl]oxy]imino]-(dicyanomethylideneamino) 4-methylbenzenesulfonate({[(4-methylphenyl)sulfonyl]oxy}imino)malononitrile2-(4-methylphenyl)sulfonyloxyiminopropanedinitrileSCHEMBL3914842DTXSID30175038(O-p-Tosylisonitroso)malononitrile(O-p-tosylisonitroso)-malononitrile

Show more names

XNCHCTURBIVYBC-UHFFFAOYSA-N2-(Tosyloxyimino)malononitrileO-(p-tosyl)isonitrosomalonitrile2-[(4-Methylphenyl)sulfonyloxyimino]propanedinitrile[[[(4-methylphenyl)sulphonyl]oxy]imino]malononitrile[[[(4-Methylphenyl)sulfonyl]oxy]imino]propanedinitrile

EINECS 244-103-0SBB014169STL293359AKOS016347542O-P-TOSYL ISONITROSO-MALONONITRILEO-P-TOSYL-ISONITROSO-MALONO-NITRILEDB-408861CS-0336488

Database identifiers

CAS: 20893-01-0
PubChem CID: 88722
DTXSID: DTXSID30175038
EC Number: 244-103-0
Nikkaji: J225.357G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 112 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 474

Related reactions

1 records

New reaction record

HRID 1199639As reactantuspto-grants-1990_02

Compound notes

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