alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile

HCID 686137

Notes Reactions

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Basic information

Standard SMILES: N#CC(=NO)c1nc2ccccc2s1
InChIKey: USOUGMJKPPEOEY-UHFFFAOYSA-N
Molecular formula: C9H5N3OS
Average molar mass: 203.22 g/mol

Names & identifiers

Preferred name: alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile
IUPAC: 2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile

Names & synonyms

553681-75-7TimTec1_004665SCHEMBL10761079USOUGMJKPPEOEY-UHFFFAOYSA-NHMS2694A23AKOS030659510DB-325725alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrileACETONITRILE, 2(3H)-BENZOTHIAZOLYLIDENENITROSO-

Database identifiers

PubChem CID: 686137

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 97.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 296

Related reactions

2 records

New reaction record

HRID 67994As productuspto-grants-1982_08

HRID 986717As productuspto-grants-1987_12

Compound notes

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