2-Amino-4,5,6,7-tetrahydro-5,5-dimethyl-7-oxobenzo[b]thiophene-3-carbonitrile

CAS Registry Number®

98899-31-1

CAS Name

2-Amino-4,5,6,7-tetrahydro-5,5-dimethyl-7-oxobenzo[b]thiophene-3-carbonitrile

Molecular Formula

C11H12N2OS

Molecular Mass

220.29

Cite this Page

2-Amino-4,5,6,7-tetrahydro-5,5-dimethyl-7-oxobenzo[b]thiophene-3-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98899-31-1 (retrieved 2024-11-23) (CAS RN: 98899-31-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    251-253 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H12N2OS/c1-11(2)3-6-7(5-12)10(13)15-9(6)8(14)4-11/h3-4,13H2,1-2H3

InChIKey

InChIKey=QTBDQOIFFZVUEW-UHFFFAOYSA-N

SMILES

O=C1C2=C(C(C#N)=C(N)S2)CC(C)(C)C1

Canonical SMILES

N#CC1=C(SC=2C(=O)CC(C)(C)CC12)N

Other Names for this Substance

  • Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-5,5-dimethyl-7-oxo-
  • 2-Amino-4,5,6,7-tetrahydro-5,5-dimethyl-7-oxobenzo[b]thiophene-3-carbonitrile
  • 2-Amino-5,5-dimethyl-3-cyanotetrahydrobenzo[b]thiophen-7-one
  • 2-Amino-3-cyano-5,5-dimethyl-7-oxotetrahydrobenzo[b]thiophene
  • 2-Amino-5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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