Cas no 17930-02-8 (2-(4-Cyanophenyl)benzothiazole)

2-(4-Cyanophenyl)benzothiazole is a benzothiazole derivative featuring a cyano-substituted phenyl group at the 2-position. This compound is of interest in organic synthesis and materials science due to its rigid aromatic structure and electron-withdrawing cyano group, which enhance its utility as a building block for fluorescent dyes, optoelectronic materials, and pharmaceutical intermediates. Its benzothiazole core contributes to thermal stability and photophysical properties, making it suitable for applications in organic light-emitting diodes (OLEDs) and sensors. The compound's well-defined molecular structure and functional group compatibility allow for further derivatization, enabling tailored modifications for specific research or industrial needs.
2-(4-Cyanophenyl)benzothiazole structure
17930-02-8 structure
Product Name:2-(4-Cyanophenyl)benzothiazole
CAS No:17930-02-8
MF:C14H8N2S
MW:236.291721343994
MDL:MFCD01318461
CID:122658
PubChem ID:1512656
Update Time:2025-05-22

2-(4-Cyanophenyl)benzothiazole Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-(2-benzothiazolyl)-
    • 2-(4-CYANOPHENYL)BENZOTHIAZOLE
    • 4-(1,3-benzothiazol-2-yl)benzonitrile
    • 4-benzothiazol-2-ylbenzenecarbonitrile
    • 4-benzothiazol-2-yl-benzonitrile
    • 4-(Benzo[d]thiazol-2-yl)benzonitrile
    • 2-(4'-cyanophenyl)benzothiazole
    • FOURLJNIFQPOFD-UHFFFAOYSA-N
    • STK346626
    • SBB024853
    • BDBM50293117
    • SY046133
    • ST45127891
    • C22600
    • AB0133
    • Benzonitrile, 4-(2-benzothiazolyl)-
    • DTXSID70363755
    • AC1833
    • CS-0313670
    • doi:10.14272/FOURLJNIFQPOFD-UHFFFAOYSA-N.1
    • 17930-02-8
    • A919328
    • CHEMBL462617
    • PD148577
    • NCGC00167615-02
    • MFCD01318461
    • AKOS005062730
    • 10.14272/FOURLJNIFQPOFD-UHFFFAOYSA-N.1
    • CS-12307
    • AB01330983-02
    • Z50129042
    • SCHEMBL6807684
    • DB-086013
    • 2-(4-Cyanophenyl)benzothiazole
    • MDL: MFCD01318461
    • Inchi: 1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H
    • InChI Key: FOURLJNIFQPOFD-UHFFFAOYSA-N
    • SMILES: S1C(C2C=CC(C#N)=CC=2)=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 236.04100
  • Monoisotopic Mass: 236.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 64.9

Experimental Properties

  • Density: 1.33
  • Boiling Point: 426.6°Cat760mmHg
  • Flash Point: 211.8°C
  • Refractive Index: 1.714
  • PSA: 64.92000
  • LogP: 3.83498

2-(4-Cyanophenyl)benzothiazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(4-Cyanophenyl)benzothiazole Pricemore >>

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