Cas no 71680-92-7 ((4-Acetylphenyl)thiourea)

(4-Acetylphenyl)thiourea structure
(4-Acetylphenyl)thiourea structure
Product Name:(4-Acetylphenyl)thiourea
CAS No:71680-92-7
MF:C9H10N2OS
MW:194.253500461578
MDL:MFCD00041188
CID:59249
PubChem ID:2735266
Update Time:2025-04-18

(4-Acetylphenyl)thiourea Chemical and Physical Properties

Names and Identifiers

    • (4-Acetylphenyl)thiourea
    • 1-(4-Acetylphenyl)-2-thiourea
    • SCHEMBL1880013
    • DTXSID20370651
    • MFCD00041188
    • 4-acetylphenylthiourea
    • ETHYL10-BROMODECANOATE
    • NSC-177013
    • ?1-(4-ACETYLPHENYL)-2-THIOUREA
    • SCHEMBL18739883
    • 1-(4-Acetylphenyl)thiourea
    • VVIUKYOXYSWCOF-UHFFFAOYSA-N
    • AKOS005206878
    • 71680-92-7
    • A837284
    • FT-0604738
    • CS-0326553
    • FT-0604737
    • NSC177013
    • (4-acetylphenyl)thiourea, AldrichCPR
    • DB-018539
    • G77572
    • MDL: MFCD00041188
    • Inchi: 1S/C9H10N2OS/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
    • InChI Key: VVIUKYOXYSWCOF-UHFFFAOYSA-N
    • SMILES: S=C(N)NC1C=CC(C(C)=O)=CC=1
    • BRN: 2804788

Computed Properties

  • Exact Mass: 194.05100
  • Monoisotopic Mass: 194.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 210
  • 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: 16
  • XLogP3: nothing
  • Topological Polar Surface Area: 87.2A^2

Experimental Properties

  • Color/Form: White or cream solid
  • Density: 1.302
  • Melting Point: 215 °C
  • Boiling Point: 354.3 °C at 760 mmHg
  • Flash Point: 354.3 °C at 760 mmHg
  • Refractive Index: 1.685
  • PSA: 87.21000
  • LogP: 2.31800
  • Solubility: Insoluble in water

(4-Acetylphenyl)thiourea Security Information

  • Hazardous Material transportation number:2811
  • Hazard Category Code: 22-43
  • Safety Instruction: S22-S36/37
  • Hazardous Material Identification: Xi
  • HazardClass:6.1
  • PackingGroup:III
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R22

(4-Acetylphenyl)thiourea Pricemore >>

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abcr
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abcr
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