Cas no 70619-48-6 (4-(3-Fluorophenyl)-3-thiosemicarbazide)

4-(3-Fluorophenyl)-3-thiosemicarbazide structure
70619-48-6 structure
Product Name:4-(3-Fluorophenyl)-3-thiosemicarbazide
CAS No:70619-48-6
MF:C7H8FN3S
MW:185.221922874451
MDL:MFCD00041286
CID:90511
PubChem ID:2737499
Update Time:2025-04-19

4-(3-Fluorophenyl)-3-thiosemicarbazide Chemical and Physical Properties

Names and Identifiers

    • 4-(3-Fluorophenyl)-3-thiosemicarbazide
    • 1-amino-3-(3-fluorophenyl)thiourea
    • N-(3-Fluorophenyl)hydrazinecarbothioamide
    • 3-amino-1-(3-fluorophenyl)thiourea
    • AS-66045
    • 1-amino-3-(3-fluorophenyl)thiourea;N-(3-Fluorophenyl)hydrazinecarbothioamide
    • DTXSID20372099
    • N1-(3-fluorophenyl)hydrazine-1-carbothioamide
    • SCHEMBL9319543
    • BDBM50019763
    • CHEBI:195006
    • FT-0616583
    • A836938
    • AKOS005207290
    • 1-amino-3-(3-luorophenyl)thiourea
    • 70619-48-6
    • CS-0313154
    • MFCD00041286
    • CHEMBL3286596
    • STK504014
    • DTXCID70323132
    • MDL: MFCD00041286
    • Inchi: 1S/C7H8FN3S/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
    • InChI Key: HLLFMTUWRLDCPF-UHFFFAOYSA-N
    • SMILES: S=C(NN)NC1C=CC=C(C=1)F
    • BRN: 2804712

Computed Properties

  • Exact Mass: 185.04200
  • Monoisotopic Mass: 185.042
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 165
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.9
  • Topological Polar Surface Area: 82.2A^2

Experimental Properties

  • Color/Form: White lens powder
  • Density: 1.418
  • Melting Point: 164 °C
  • Boiling Point: 280.3°C at 760 mmHg
  • Flash Point: 123.3°C
  • Refractive Index: 1.696
  • PSA: 82.17000
  • LogP: 2.15000
  • Solubility: Insoluble in water

4-(3-Fluorophenyl)-3-thiosemicarbazide Security Information

  • Hazard Statement: Toxic
  • Hazardous Material transportation number:UN 2811
  • Hazard Category Code: 25
  • Safety Instruction: S22-S36/37-S45
  • Hazardous Material Identification: T
  • HazardClass:6.1
  • PackingGroup:II
  • Packing Group:II
  • Hazard Level:6.1
  • Safety Term:6.1
  • Packing Group:II
  • Risk Phrases:R25

4-(3-Fluorophenyl)-3-thiosemicarbazide Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(3-Fluorophenyl)-3-thiosemicarbazide Pricemore >>

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