Cas no 104040-74-6 (3-(Trifluoromethyl)pyridine-2-thiol)

3-(Trifluoromethyl)pyridine-2-thiol structure
104040-74-6 structure
Product Name:3-(Trifluoromethyl)pyridine-2-thiol
CAS No:104040-74-6
MF:C6H4F3NS
MW:179.162870407104
MDL:MFCD00178749
CID:62443
PubChem ID:329766345
Update Time:2025-04-18

3-(Trifluoromethyl)pyridine-2-thiol Chemical and Physical Properties

Names and Identifiers

    • 3-(Trifluoromethyl)pyridine-2-thiol
    • BUTTPARK 45\03-86
    • 2-MERCAPTO-3-(TRIFLUOROMETHYL)PYRIDINE
    • 3-(trifluoromethyl)-2-pyridinethiol
    • 3-(trifluoromethyl)-1H-pyridine-2-thione
    • (trifluoromethyl)pyridinethiol
    • 2(1H)-Pyridinethione,3-(trifluoromethyl)
    • 2-mercapto-3-trifluoromethylpyridin
    • 2-mercapto-3-trifluoromethylpyridine
    • 3-trifluoromethyl-2-mercaptopyridine
    • 3-trifluoromethylpyridine-2-thione
    • 3-(Trifluoromethyl)-2-mercaptopyridine
    • 3-(trifluoroMethyl)pyridin-2-thiol
    • 3-(Trifluoromethyl)pyridine-2(1H)-thione
    • 3-(Trifluoromethyl)-2(1H)-pyridinethione
    • 2(1H)-Pyridinethione, 3-(trifluoroMethyl)-
    • 3-(Trifluoromethyl)pyridine-2-thiol 97%
    • 3-trifluoromethyl-pyridine-2-thiol
    • W-204520
    • DA-0609
    • CS-W017280
    • AMY14521
    • EN300-1263973
    • SCHEMBL2037302
    • DTXSID10374820
    • 2-mercapto-3-(trifluoromethyl)pyridine, AldrichCPR
    • WIXBYUUBTYDRAD-UHFFFAOYSA-N
    • A800882
    • D94700
    • MFCD00178749
    • 3-(Trifluoromethyl)pyridine-2-thiol, 97%
    • AKOS000151184
    • FT-0642551
    • SY109570
    • 104040-74-6
    • STL554696
    • BBL100902
    • DB-040505
    • MDL: MFCD00178749
    • Inchi: 1S/C6H4F3NS/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11)
    • InChI Key: ACGSRAAAQJSWLC-UHFFFAOYSA-N
    • SMILES: S=C1C(C(F)(F)F)=CC=CN1

Computed Properties

  • Exact Mass: 179.00200
  • Monoisotopic Mass: 179.002
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 44.1A^2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.858
  • Melting Point: 178-183?°C
  • Boiling Point: 180.2°Cat760mmHg
  • Flash Point: 180.2°Cat760mmHg
  • Refractive Index: 1.527
  • PSA: 51.69000
  • LogP: 2.38910

3-(Trifluoromethyl)pyridine-2-thiol Security Information

  • Symbol: GHS06
  • Signal Word:Danger
  • Hazard Statement: H301-H319
  • Warning Statement: P301 + P310-P305 + P351 + P338
  • Hazardous Material transportation number:UN 2811 6.1 / PGIII
  • WGK Germany:3
  • Hazard Category Code: 25-36
  • Safety Instruction: S22
  • Hazardous Material Identification: T Xi
  • HazardClass:IRRITANT
  • Safety Term:S22-24/25
  • Risk Phrases:R20/21/22

3-(Trifluoromethyl)pyridine-2-thiol Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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