Cas no 95-26-1 (2,5-Dimethylbenzothiazole)

2,5-Dimethylbenzothiazole structure
2,5-Dimethylbenzothiazole structure
Product Name:2,5-Dimethylbenzothiazole
CAS No:95-26-1
MF:C9H9NS
MW:163.239460706711
MDL:MFCD00005796
CID:34788
PubChem ID:87567760
Update Time:2025-04-19

2,5-Dimethylbenzothiazole Chemical and Physical Properties

Names and Identifiers

    • 2,5-Dimethylbenzothiazole
    • 2,5-dimethyl-1,3-benzothiazole
    • BENZOTHIAZOLE, 2,5-DIMETHYL-
    • 2,5-Dimethylbenzthiazol
    • 2,5-Dimethylbenzo[d]thiazole
    • 2,5-Dimethylbenzthiazol [Czech]
    • XHANCLXYCNTZMM-UHFFFAOYSA-N
    • 2,5-dimethyl benzothiazole
    • STK396270
    • SBB058748
    • BBL005644
    • 2,5-Dimethyl-1,3-benzothiazole #
    • SY048541
    • EINECS 202-404-4
    • 4-27-00-01101 (Beilstein Handbook Reference)
    • BRN 0116455
    • DTXSID9059121
    • D73290
    • 2,5-dimethylbenzothiazol
    • MFCD00005796
    • SCHEMBL92781
    • 95-26-1
    • FT-0610462
    • W-100167
    • F8YB2EH8TU
    • A845256
    • InChI=1/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H
    • UNII-F8YB2EH8TU
    • Z56347238
    • CHEBI:194732
    • CS-0063216
    • AKOS000121363
    • D1218
    • NS00040441
    • AS-58494
    • DTXCID2048951
    • 202-404-4
    • MDL： MFCD00005796
    • Inchi： 1S/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
    • InChI Key： XHANCLXYCNTZMM-UHFFFAOYSA-N
    • SMILES： S1C(C)=NC2C=C(C)C=CC1=2
    • BRN： 0116455

Computed Properties

  • Exact Mass: 163.04600
  • Monoisotopic Mass: 163.04557046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • 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
  • Topological Polar Surface Area: 41.1
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.1

Experimental Properties

  • Color/Form: White or brown crystals
  • Density: 1.1108 (rough estimate)
  • Melting Point: 40.0 to 42.0 deg-C
  • Boiling Point: 146°C/10mmHg(lit.)
  • Flash Point: 110 oC
  • Refractive Index: 1.5300 (estimate)
  • PSA: 41.13000
  • LogP: 2.91310
  • Solubility: Not determined

2,5-Dimethylbenzothiazole Security Information

2,5-Dimethylbenzothiazole 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%

2,5-Dimethylbenzothiazole Pricemore >>

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